Bavacoumestan A
TL;DR: Bavacoumestan A (CAS 129385-63-3) is a chemical compound with molecular formula C20H16O6 and molecular weight 352.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,17-dihydroxy-7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,9,14(19),15,17-heptaen-21-one
Also Known As: Bavacoumestan A, 6,17-dihydroxy-7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,9,14(19),15,17-heptaen-21-one, 6,17-dihydroxy-7,7-dimethyl-8,12,20-trioxapentacyclo(11.8.0.02,11.04,9.014,19)henicosa-1(13),2(11),3,9,14(19),15,17-heptaen-21-one, RefChem:116703
| Molecular Formula | C20H16O6 |
|---|---|
| Molecular Weight | 352.09 g/mol |
| LogP | 3.4724 |
| Topological Polar Surface Area | 93.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 352.0947 |
| Heavy Atoms | 26 |
| Complexity | 1260.4927 |
Chemical Identifiers
| CAS Number | 129385-63-3 |
|---|---|
| SMILES | CC1(C(CC2=CC3=C(C=C2O1)OC4=C3C(=O)OC5=C4C=CC(=C5)O)O)C |
Product Overview
Bavacoumestan A (CAS 129385-63-3), with molecular formula C20H16O6 and molecular weight 352.09 g/mol. IUPAC: 6,17-dihydroxy-7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,9,14(19),15,17-heptaen-21-one.
Chemical Property Profile of Bavacoumestan A
Property Insights of Bavacoumestan A
The XLogP value of 3.4724 indicates that Bavacoumestan A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Bavacoumestan A. Following Lipinski's Rule of Five, Bavacoumestan A has 2 hydrogen bond donor(s) and 6 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 Bavacoumestan A?
The CAS number of Bavacoumestan A is 129385-63-3.
What is the molecular formula of Bavacoumestan A?
The molecular formula of Bavacoumestan A is C20H16O6.
What is the molecular weight of Bavacoumestan A?
The molecular weight of Bavacoumestan A is 352.09 g/mol.
Where can I buy Bavacoumestan A?
You can request a quote for Bavacoumestan A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bavacoumestan A?
Yes, KEHONG BIO provides custom synthesis services for Bavacoumestan A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.