Abyssinol B
TL;DR: Abyssinol B (CAS 96819-80-6) is a chemical compound with molecular formula C25H32O6 and molecular weight 428.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1S,2R,5R,7R,8R,11R,15S,16R)-8-hydroxy-2-(hydroxymethyl)-13-methoxy-16-methyl-6-oxapentacyclo[9.7.0.02,8.05,7.012,16]octadec-12-en-15-yl]pyran-2-one
Also Known As: Abyssinol B, 5,19-Dihydroxy-15-methoxy-3,4-epoxybufa-14,20,22-trienolide, 5,19-Dihydroxy-15-methoxy-3alpha,4alpha,5beta-3,4-epoxybufa-14,20,22-trienolide
| Molecular Formula | C25H32O6 |
|---|---|
| Molecular Weight | 428.22 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.21988 |
| Heavy Atoms | 31 |
| Complexity | 919.0 |
Chemical Identifiers
| CAS Number | 96819-80-6 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H](C1=C(C[C@@H]2C4=COC(=O)C=C4)OC)CC[C@]5([C@@]3(CC[C@@H]6[C@H]5O6)CO)O |
| InChIKey | LTEXFQUEKSPLEB-PVWAGCOUSA-N |
Product Overview
Abyssinol B (CAS 96819-80-6), with molecular formula C25H32O6 and molecular weight 428.22 g/mol. IUPAC: 5-[(1S,2R,5R,7R,8R,11R,15S,16R)-8-hydroxy-2-(hydroxymethyl)-13-methoxy-16-methyl-6-oxapentacyclo[9.7.0.02,8.05,7.012,16]octadec-12-en-15-yl]pyran-2-one.
Chemical Property Profile of Abyssinol B
Property Insights of Abyssinol B
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Abyssinol B. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Abyssinol B. Following Lipinski's Rule of Five, Abyssinol B 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 Abyssinol B?
The CAS number of Abyssinol B is 96819-80-6.
What is the molecular formula of Abyssinol B?
The molecular formula of Abyssinol B is C25H32O6.
What is the molecular weight of Abyssinol B?
The molecular weight of Abyssinol B is 428.22 g/mol.
Where can I buy Abyssinol B?
You can request a quote for Abyssinol B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abyssinol B?
Yes, KEHONG BIO provides custom synthesis services for Abyssinol B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.