Vouacapan
TL;DR: Vouacapan (CAS 5349-85-9) is a chemical compound with molecular formula C20H28O5 and molecular weight 348.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,5R,6R,6aR,7S,11aS,11bR)-5,6-dihydroxy-4,4,11b-trimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-7-carboxylic acid
Also Known As: Vouacapan, Sodium chromone-2-carbohydroxamae, 6-alpha-7beta-Dihydroxyvouacapan-17-beta-oate, KST-1A5496, KST-1A5497
| Molecular Formula | C20H28O5 |
|---|---|
| Molecular Weight | 348.19 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.19366 |
| Heavy Atoms | 25 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 5349-85-9 |
|---|---|
| SMILES | C[C@]12CCCC([C@@H]1[C@H]([C@@H]([C@@H]3[C@@H]2CC4=C([C@H]3C(=O)O)C=CO4)O)O)(C)C |
| InChIKey | GHQBUKANOGSFQS-WENPLGDPSA-N |
Product Overview
Vouacapan (CAS 5349-85-9), with molecular formula C20H28O5 and molecular weight 348.19 g/mol. IUPAC: (4aS,5R,6R,6aR,7S,11aS,11bR)-5,6-dihydroxy-4,4,11b-trimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-7-carboxylic acid.
Chemical Property Profile of Vouacapan
Property Insights of Vouacapan
The XLogP value of 3.1 indicates that Vouacapan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Vouacapan. Following Lipinski's Rule of Five, Vouacapan has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vouacapan?
The CAS number of Vouacapan is 5349-85-9.
What is the molecular formula of Vouacapan?
The molecular formula of Vouacapan is C20H28O5.
What is the molecular weight of Vouacapan?
The molecular weight of Vouacapan is 348.19 g/mol.
Where can I buy Vouacapan?
You can request a quote for Vouacapan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vouacapan?
Yes, KEHONG BIO provides custom synthesis services for Vouacapan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.