Crocacin A
TL;DR: Crocacin A (CAS 157698-34-5) is a chemical compound with molecular formula C31H42N2O6 and molecular weight 538.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(2Z,5Z)-6-[[(2E,4E,6S,7S,8R,9S,10E)-7,9-dimethoxy-3,6,8-trimethyl-11-phenylundeca-2,4,10-trienoyl]amino]hexa-2,5-dienoyl]amino]acetate
Also Known As: Crocacin A, Crocacin D, (+)-CrocainA, J1.104.271F, methyl 2-[[(2Z,5Z)-6-[[(2E,4E,6S,7S,8R,9S,10E)-7,9-dimethoxy-3,6,8-trimethyl-11-phenylundeca-2,4,10-trienoyl]amino]hexa-2,5-dienoyl]amino]acetate
| Molecular Formula | C31H42N2O6 |
|---|---|
| Molecular Weight | 538.30 g/mol |
| LogP | 4.3699 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 538.30426 |
| Heavy Atoms | 39 |
| Complexity | 1042.4187 |
Chemical Identifiers
| CAS Number | 157698-34-5 |
|---|---|
| SMILES | C[C@@H](/C=C/C(=C/C(=O)N/C=C\C/C=C\C(=O)NCC(=O)OC)/C)[C@@H]([C@H](C)[C@H](/C=C/C1=CC=CC=C1)OC)OC |
Product Overview
Crocacin A (CAS 157698-34-5), with molecular formula C31H42N2O6 and molecular weight 538.30 g/mol. IUPAC: methyl 2-[[(2Z,5Z)-6-[[(2E,4E,6S,7S,8R,9S,10E)-7,9-dimethoxy-3,6,8-trimethyl-11-phenylundeca-2,4,10-trienoyl]amino]hexa-2,5-dienoyl]amino]acetate.
Chemical Property Profile of Crocacin A
Property Insights of Crocacin A
The XLogP value of 4.3699 indicates that Crocacin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Crocacin A. Following Lipinski's Rule of Five, Crocacin A has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Crocacin A?
The CAS number of Crocacin A is 157698-34-5.
What is the molecular formula of Crocacin A?
The molecular formula of Crocacin A is C31H42N2O6.
What is the molecular weight of Crocacin A?
The molecular weight of Crocacin A is 538.30 g/mol.
Where can I buy Crocacin A?
You can request a quote for Crocacin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crocacin A?
Yes, KEHONG BIO provides custom synthesis services for Crocacin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.