Abyssinin
TL;DR: Abyssinin (CAS 82793-01-9) is a chemical compound with molecular formula C27H30O8 and molecular weight 482.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,5R,7R,8R,11R,15S,16R)-2-formyl-13-methoxy-16-methyl-14-oxo-15-(6-oxopyran-3-yl)-6-oxapentacyclo[9.7.0.02,8.05,7.012,16]octadec-12-en-8-yl] acetate
Also Known As: Abyssinin, 5-(Acetyloxy)-15-methoxy-16,19-dioxo-3,4-epoxybufa-14,20,22-trienolide, Bufa-14,20,22-trienolide, 5-(acetyloxy)-3,4-epoxy-15-methoxy-16,19-dioxo-, (3alpha,4alpha,5beta)-, 5-(Acetyloxy)-15-methoxy-16,19-dioxo-3alpha,4alpha,5beta-3,4-epoxybufa-14,20,22-trienolide
| Molecular Formula | C27H30O8 |
|---|---|
| Molecular Weight | 482.19 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.19406 |
| Heavy Atoms | 35 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 82793-01-9 |
|---|---|
| SMILES | CC(=O)O[C@]12CC[C@@H]3[C@@H]([C@]1(CC[C@@H]4[C@H]2O4)C=O)CC[C@]5(C3=C(C(=O)[C@@H]5C6=COC(=O)C=C6)OC)C |
| InChIKey | OGARMHBKUCJUTA-CKSLAKHHSA-N |
Product Overview
Abyssinin (CAS 82793-01-9), with molecular formula C27H30O8 and molecular weight 482.19 g/mol. IUPAC: [(1S,2S,5R,7R,8R,11R,15S,16R)-2-formyl-13-methoxy-16-methyl-14-oxo-15-(6-oxopyran-3-yl)-6-oxapentacyclo[9.7.0.02,8.05,7.012,16]octadec-12-en-8-yl] acetate.
Chemical Property Profile of Abyssinin
Property Insights of Abyssinin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Abyssinin. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Abyssinin. Following Lipinski's Rule of Five, Abyssinin has 0 hydrogen bond donor(s) and 8 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 Abyssinin?
The CAS number of Abyssinin is 82793-01-9.
What is the molecular formula of Abyssinin?
The molecular formula of Abyssinin is C27H30O8.
What is the molecular weight of Abyssinin?
The molecular weight of Abyssinin is 482.19 g/mol.
Where can I buy Abyssinin?
You can request a quote for Abyssinin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abyssinin?
Yes, KEHONG BIO provides custom synthesis services for Abyssinin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.