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Heterocyclic building blocks

Bafilomycin B1

Also known as bafilomycin-B1, Setamycin, Bafilomycin B1, KM-6054

CAS 88899-56-3Formula C44H65NO13Molar mass 816.00 g/molEC 635-481-1
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 2 suppliers listed
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Bafilomycin B1 chemical structure, C44H65NO13, CAS 88899-56-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
88899-56-3
Formula
C44H65NO13
Molar mass
816.00 g/mol
EC number
635-481-1
HS code
293220
Category
Heterocyclic building blocks

What is Bafilomycin B1?

Plain description, key identifiers and synonyms

Bafilomycin B1 is a macrolide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[2-hydroxy-2-[3-hydroxy-4-[(4E,6E,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate
CAS number
88899-56-3 CAS number cross-checked
EC number
635-481-1
Molecular formula
C44H65NO13
InChIKey
KFUFLYSBMNNJTF-UNPKUBMASA-N
InChI
InChI=1S/C44H65NO13/c1-23(2)41-28(7)35(56-37(49)18-17-36(48)45-38-31(46)15-16-32(38)47)22-44(53,58-41)30(9)40(51)29(8)42-33(54-10)14-12-13-24(3)19-26(5)39(50)27(6)20-25(4)21-34(55-11)43(52)57-42/h12-14,17-18,20-21,23,26-30,33,35,39-42,46,50-51,53H,15-16,19,22H2,1-11H3,(H,45,48)/b14-12+,18-17+,24-13+,25-20+,34-21-
Canonical SMILES
COC1=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC(OC)C(C(C)C(O)C(C)C2(O)CC(OC(=O)C=CC(=O)NC3=C(O)CCC3=O)C(C)C(C(C)C)O2)OC1=O
Isomeric SMILES
CC1C/C(=C/C=C/C(C(OC(=O)/C(=C/C(=C/C(C1O)C)/C)/OC)C(C)C(C(C)C2(CC(C(C(O2)C(C)C)C)OC(=O)/C=C/C(=O)NC3=C(CCC3=O)O)O)O)OC)/C

Synonyms

  • bafilomycin-B1
  • Setamycin, Bafilomycin B1, KM-6054

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
816.00 g/molcalc.
Exact mass
815.4456 Dacalc.
LogP (octanol/water)
5.05calc.
Topological polar surface area
207.4 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
11calc.
Heavy atoms
58calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.64calc.
Formal charge
0calc.
Stereocentres
12calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(C=CC(=O)OC1CCOC(CCCC2CC=CC=CCCCCC=CC=CC(=O)O2)C1)NC1=CCCC1=O

O=C(C=CC(=O)OC1CCOC(CCCC2CC=CC=CCCCCC=CC=CC(=O)O2)C1)NC1=CCCC1=O

3 rings, 40 atoms.

5 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H300 + H310 + H330Fatal if swallowed. Fatal in contact with skin. Fatal if inhaled.
  • H300Fatal if swallowed.
  • H310Fatal in contact with skin.
  • H330Fatal if inhaled.
Precautionary statements (18)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Bafilomycin B1 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 2 suppliers

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Where suppliers are based

2 suppliers in 2 countries

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Bafilomycin B1 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Bafilomycin B1 is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Bafilomycin B1 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Bafilomycin B1, based on the data on this page

What is Bafilomycin B1?

Bafilomycin B1 is a macrolide.

What is the CAS number of Bafilomycin B1?

The CAS registry number of Bafilomycin B1 is 88899-56-3.

What is the molecular formula and weight of Bafilomycin B1?

The molecular formula of Bafilomycin B1 is C44H65NO13 and its molar mass is 816.00 g/mol.

What is Bafilomycin B1 used for?

Known uses and roles of Bafilomycin B1 include building blocks in research and laboratory.

Is Bafilomycin B1 hazardous?

Bafilomycin B1 carries the GHS signal word "Danger". Main hazards: fatal if swallowed. fatal in contact with skin. fatal if inhaled, fatal if swallowed, fatal in contact with skin. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Bafilomycin B1?

Bafilomycin B1 is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bafilomycin B1?

CompoundList lists 2 suppliers of Bafilomycin B1 in Israel and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Bafilomycin B1?

Suppliers quote Bafilomycin B1 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Bafilomycin B1

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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