CARP toxin
TL;DR: CARP toxin (CAS 53939-18-7) is a chemical compound with molecular formula C27H48O8S and molecular weight 532.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6R)-2-(hydroxymethyl)-6-[(3R,5R,7R,8R,9S,10S,12S,13R,14S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptyl] hydrogen sulfate
Also Known As: CARP toxin, 3,7,12,26-Tetrahydroxycholestan-27-yl hydrogen sulfate, Cholestane-3,7,12,26,27-pentol, 26-(hydrogen sulfate), (3-alpha,5-alpha,7-alpha,12-alpha)-, [(6R)-2-(hydroxymethyl)-6-[(3R,5R,7R,8R,9S,10S,12S,13R,14S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptyl] hydrogen sulfate, (17xi)-3alpha,7alpha,12alpha,26-Tetrahydroxy-5alpha-cholestan-27-yl hydrogen sulfate
| Molecular Formula | C27H48O8S |
|---|---|
| Molecular Weight | 532.31 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 532.307 |
| Heavy Atoms | 36 |
| Complexity | 860.0 |
Chemical Identifiers
| CAS Number | 53939-18-7 |
|---|---|
| SMILES | C[C@H](CCCC(CO)COS(=O)(=O)O)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
| InChIKey | KAOLEMQCYWHOJQ-JCLZTNMTSA-N |
Product Overview
CARP toxin (CAS 53939-18-7), with molecular formula C27H48O8S and molecular weight 532.31 g/mol. IUPAC: [(6R)-2-(hydroxymethyl)-6-[(3R,5R,7R,8R,9S,10S,12S,13R,14S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptyl] hydrogen sulfate.
Chemical Property Profile of CARP toxin
Property Insights of CARP toxin
The XLogP value of 3.7 indicates that CARP toxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting CARP toxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CARP toxin has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CARP toxin?
The CAS number of CARP toxin is 53939-18-7.
What is the molecular formula of CARP toxin?
The molecular formula of CARP toxin is C27H48O8S.
What is the molecular weight of CARP toxin?
The molecular weight of CARP toxin is 532.31 g/mol.
Where can I buy CARP toxin?
You can request a quote for CARP toxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CARP toxin?
Yes, KEHONG BIO provides custom synthesis services for CARP toxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.