Verrucarin A, (4S)-
TL;DR: Verrucarin A, (4S)- (CAS 123406-47-3) is a chemical compound with molecular formula C27H34O9 and molecular weight 502.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3R,8R,12S,13R,18E,20Z,24S,25S,26S)-12-hydroxy-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,17,22-trione
Also Known As: Verrucarin A, (4S)-
| Molecular Formula | C27H34O9 |
|---|---|
| Molecular Weight | 502.22 g/mol |
| LogP | 2.1706 |
| Topological Polar Surface Area | 120.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 502.22028 |
| Heavy Atoms | 36 |
| Complexity | 1024.2617 |
Chemical Identifiers
| CAS Number | 123406-47-3 |
|---|---|
| SMILES | C[C@@H]1CCOC(=O)/C=C/C=C\C(=O)O[C@H]2C[C@@H]3[C@]4([C@]2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)[C@H]1O)C)CO4 |
Product Overview
Verrucarin A, (4S)- (CAS 123406-47-3), with molecular formula C27H34O9 and molecular weight 502.22 g/mol. IUPAC: (1R,3R,8R,12S,13R,18E,20Z,24S,25S,26S)-12-hydroxy-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,17,22-trione.
Chemical Property Profile of Verrucarin A, (4S)-
Property Insights of Verrucarin A, (4S)-
The XLogP value of 2.1706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Verrucarin A, (4S)-. The TPSA of 120.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Verrucarin A, (4S)-. Following Lipinski's Rule of Five, Verrucarin A, (4S)- has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Verrucarin A, (4S)-?
The CAS number of Verrucarin A, (4S)- is 123406-47-3.
What is the molecular formula of Verrucarin A, (4S)-?
The molecular formula of Verrucarin A, (4S)- is C27H34O9.
What is the molecular weight of Verrucarin A, (4S)-?
The molecular weight of Verrucarin A, (4S)- is 502.22 g/mol.
Where can I buy Verrucarin A, (4S)-?
You can request a quote for Verrucarin A, (4S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Verrucarin A, (4S)-?
Yes, KEHONG BIO provides custom synthesis services for Verrucarin A, (4S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.