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Screening compounds

Biphenomycin A

Also known as LL-AF283alpha, 9,12-Diazatricyclo(14.3.1.12,6)heneicosa-1(20),2,4,6(21),16,18-hexaene-8-carboxylic acid, 14-amino-11-(3-amino-2-hydroxypropyl)-5,7,17-trihydroxy-10,13-dioxo-, WS 43708A dihydrochloride hydrate

CAS 95485-50-0Formula C23H30Cl2N4O8Molar mass 561.42 g/mol
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Biphenomycin A chemical structure, C23H30Cl2N4O8, CAS 95485-50-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
95485-50-0
Formula
C23H30Cl2N4O8
Molar mass
561.42 g/mol
HS code
293379
Category
Screening compounds

What is Biphenomycin A?

Plain description, key identifiers and synonyms

Biphenomycin A is a chemical substance with the molecular formula C23H30Cl2N4O8 and a molar mass of 561.42 g/mol. Its CAS registry number is 95485-50-0. The IUPAC name is 14-amino-11-(3-amino-2-hydroxypropyl)-5,7,17-trihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxylic acid, dihydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
14-amino-11-(3-amino-2-hydroxypropyl)-5,7,17-trihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxylic acid, dihydrochloride
CAS number
95485-50-0 CAS number cross-checkedOther or deprecated CAS: 100296-21-7
Molecular formula
C23H30Cl2N4O8
InChIKey
SIPRORADASWWPP-UHFFFAOYSA-N
InChI
InChI=1S/C23H28N4O8.2ClH/c24-9-13(28)8-16-22(33)27-19(23(34)35)20(31)14-6-11(2-4-18(14)30)10-1-3-17(29)12(5-10)7-15(25)21(32)26-16;;/h1-6,13,15-16,19-20,28-31H,7-9,24-25H2,(H,26,32)(H,27,33)(H,34,35);2*1H
SMILES (canonical and isomeric)
C1C(C(=O)NC(C(=O)NC(C(C2=C(C=CC(=C2)C3=CC1=C(C=C3)O)O)O)C(=O)O)CC(CN)O)N.Cl.Cl

Synonyms

  • LL-AF283alpha
  • 9,12-Diazatricyclo(14.3.1.12,6)heneicosa-1(20),2,4,6(21),16,18-hexaene-8-carboxylic acid, 14-amino-11-(3-amino-2-hydroxypropyl)-5,7,17-trihydroxy-10,13-dioxo-
  • WS 43708A dihydrochloride hydrate

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
561.42 g/molcalc.
Exact mass
560.1441 Dacalc.
LogP (octanol/water)
-0.71calc.
Topological polar surface area
228.5 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
4calc.
Heavy atoms
37calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
5calc.
Components
3calc.
Lipinski rule of five
Fails (2 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=C1CCc2cccc(c2)-c2cccc(c2)CCNC(=O)CN1

O=C1CCc2cccc(c2)-c2cccc(c2)CCNC(=O)CN1

3 rings, 23 atoms.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Biphenomycin A suppliers

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Biphenomycin A 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 Biphenomycin A is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Biphenomycin A, based on the data on this page

What is Biphenomycin A?

Biphenomycin A is a chemical substance with the molecular formula C23H30Cl2N4O8 and a molar mass of 561.42 g/mol. Its CAS registry number is 95485-50-0.

What is the CAS number of Biphenomycin A?

The CAS registry number of Biphenomycin A is 95485-50-0. Other or deprecated CAS numbers: 100296-21-7.

What is the molecular formula and weight of Biphenomycin A?

The molecular formula of Biphenomycin A is C23H30Cl2N4O8 and its molar mass is 561.42 g/mol.

What is Biphenomycin A used for?

Known uses and roles of Biphenomycin A include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Biphenomycin A hazardous?

No GHS hazard classification for Biphenomycin A is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Biphenomycin A?

Biphenomycin A is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Biphenomycin A?

Post a free request on CompoundList and suppliers of Biphenomycin A will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Biphenomycin A?

Suppliers quote Biphenomycin A 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 Biphenomycin A

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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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