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Heterocyclic building blocks

Cryptophycin 45

Also known as Cryptophycin-45

CAS 168569-19-5Formula C34H40Cl2N2O7Molar mass 659.61 g/mol
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Cryptophycin 45 chemical structure, C34H40Cl2N2O7, CAS 168569-19-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
168569-19-5
Formula
C34H40Cl2N2O7
Molar mass
659.61 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Cryptophycin 45?

Plain description, key identifiers and synonyms

Cryptophycin-45 is a peptide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,6R,10R,13E,16S)-10-[(3,5-dichloro-4-hydroxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E,2R)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
CAS number
168569-19-5
Molecular formula
C34H40Cl2N2O7
InChIKey
ISTUVLRTAHDXQL-DQHTXJPTSA-N
InChI
InChI=1S/C34H40Cl2N2O7/c1-20(2)15-29-34(43)44-28(21(3)13-14-23-9-6-5-7-10-23)11-8-12-30(39)38-27(32(41)37-19-22(4)33(42)45-29)18-24-16-25(35)31(40)26(36)17-24/h5-10,12-14,16-17,20-22,27-29,40H,11,15,18-19H2,1-4H3,(H,37,41)(H,38,39)/b12-8+,14-13+/t21-,22-,27-,28+,29+/m1/s1
Canonical SMILES
CC(C)CC1OC(=O)C(C)CNC(=O)C(Cc2cc(Cl)c(O)c(Cl)c2)NC(=O)C=CCC(C(C)C=Cc2ccccc2)OC1=O
Isomeric SMILES
C[C@@H]1CNC(=O)[C@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)/C=C/C2=CC=CC=C2)CC3=CC(=C(C(=C3)Cl)O)Cl

Synonyms

  • Cryptophycin-45

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
659.61 g/molcalc.
Exact mass
658.2213 Dacalc.
LogP (octanol/water)
5.66calc.
Topological polar surface area
131 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
7calc.
Heavy atoms
45calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.41calc.
Formal charge
0calc.
Stereocentres
5calc.
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=C1C=CCC(CC=Cc2ccccc2)OC(=O)COC(=O)CCNC(=O)C(Cc2ccccc2)N1

O=C1C=CCC(CC=Cc2ccccc2)OC(=O)COC(=O)CCNC(=O)C(Cc2ccccc2)N1

3 rings, 36 atoms.

9 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.

Cryptophycin 45 suppliers

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Cryptophycin 45 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 Cryptophycin 45 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Cryptophycin 45 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cryptophycin 45, based on the data on this page

What is Cryptophycin 45?

Cryptophycin-45 is a peptide.

What is the CAS number of Cryptophycin 45?

The CAS registry number of Cryptophycin 45 is 168569-19-5.

What is the molecular formula and weight of Cryptophycin 45?

The molecular formula of Cryptophycin 45 is C34H40Cl2N2O7 and its molar mass is 659.61 g/mol.

What is Cryptophycin 45 used for?

Known uses and roles of Cryptophycin 45 include building blocks in research and laboratory.

Is Cryptophycin 45 hazardous?

No GHS hazard classification for Cryptophycin 45 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 Cryptophycin 45?

Cryptophycin 45 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cryptophycin 45?

Post a free request on CompoundList and suppliers of Cryptophycin 45 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Cryptophycin 45?

Suppliers quote Cryptophycin 45 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 Cryptophycin 45

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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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