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Heterocyclic building blocks

Cryptophycin 53

Also known as Cryptophycin-53, (+)-Cryptophycin 53, Cryptophycin 53, (+)-

CAS 186256-68-8Formula C36H45ClN2O8Molar mass 669.22 g/mol
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Cryptophycin 53 chemical structure, C36H45ClN2O8, CAS 186256-68-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
186256-68-8
Formula
C36H45ClN2O8
Molar mass
669.22 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Cryptophycin 53?

Plain description, key identifiers and synonyms

Cryptophycin 53 is a chemical substance with the molecular formula C36H45ClN2O8 and a molar mass of 669.22 g/mol. Its CAS registry number is 186256-68-8. The IUPAC name is (3S,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-16-[(1S)-1-[(2S,3S)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-16-[(1S)-1-[(2S,3S)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
CAS number
186256-68-8
Molecular formula
C36H45ClN2O8
UNII
W4ORV25OJO
InChIKey
LSXOBYNBRKOTIQ-MBQKXPENSA-N
InChI
InChI=1S/C36H45ClN2O8/c1-21(2)17-29-34(42)45-27(22(3)31-32(47-31)24-11-8-7-9-12-24)13-10-14-30(40)39-26(19-23-15-16-28(44-6)25(37)18-23)33(41)38-20-36(4,5)35(43)46-29/h7-12,14-16,18,21-22,26-27,29,31-32H,13,17,19-20H2,1-6H3,(H,38,41)(H,39,40)/b14-10+/t22-,26+,27-,29-,31-,32-/m0/s1
Canonical SMILES
COc1ccc(CC2NC(=O)C=CCC(C(C)C3OC3c3ccccc3)OC(=O)C(CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
Isomeric SMILES
C[C@@H]([C@@H]1C/C=C/C(=O)N[C@@H](C(=O)NCC(C(=O)O[C@H](C(=O)O1)CC(C)C)(C)C)CC2=CC(=C(C=C2)OC)Cl)[C@H]3[C@@H](O3)C4=CC=CC=C4

Synonyms

  • Cryptophycin-53
  • (+)-Cryptophycin 53
  • Cryptophycin 53, (+)-
  • Cyclo(2,2-dimethyl-beta-alanyl-(2S)-2-hydroxy-4-methylpentanoyl-(2E,5S,6S)-5-hydroxy-6-((2S,3S)-3-phenyl-2-oxiranyl)-2-heptenoyl-3-chloro-o-methyl-d-tyrosyl)
  • Cyclo(2,2-dimethyl-beta-alanyl-(2S)-2-hydroxy-4-methylpentanoyl-(2E,5S,6S)-5-hydroxy-6-((2S,3S)-3-phenyloxiranyl)-2-heptenoyl-3-chloro-o-methyl-d-tyrosyl)

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
669.22 g/molcalc.
Exact mass
668.2864 Dacalc.
LogP (octanol/water)
5.12calc.
Topological polar surface area
132.6 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
8calc.
Heavy atoms
47calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
6calc.
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(CC2OC2c2ccccc2)OC(=O)COC(=O)CCNC(=O)C(Cc2ccccc2)N1

O=C1C=CCC(CC2OC2c2ccccc2)OC(=O)COC(=O)CCNC(=O)C(Cc2ccccc2)N1

4 rings, 37 atoms.

17 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 53 suppliers

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Cryptophycin 53 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 53 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 53 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cryptophycin 53, based on the data on this page

What is Cryptophycin 53?

Cryptophycin 53 is a chemical substance with the molecular formula C36H45ClN2O8 and a molar mass of 669.22 g/mol. Its CAS registry number is 186256-68-8.

What is the CAS number of Cryptophycin 53?

The CAS registry number of Cryptophycin 53 is 186256-68-8.

What is the molecular formula and weight of Cryptophycin 53?

The molecular formula of Cryptophycin 53 is C36H45ClN2O8 and its molar mass is 669.22 g/mol.

What is Cryptophycin 53 used for?

Known uses and roles of Cryptophycin 53 include building blocks in research and laboratory.

Is Cryptophycin 53 hazardous?

No GHS hazard classification for Cryptophycin 53 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 53?

Cryptophycin 53 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 53?

Post a free request on CompoundList and suppliers of Cryptophycin 53 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Cryptophycin 53?

Suppliers quote Cryptophycin 53 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 53

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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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