Cyathin A3
TL;DR: Cyathin A3 (CAS 38598-35-5) is a chemical compound with molecular formula C20H30O3 and molecular weight 318.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,5aR,9R,10aR)-9-hydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-propan-2-yl-3,4,5,9,10,10a-hexahydro-2H-cyclohepta[e]inden-6-one
Also Known As: Cyathin A3, Cyathin A(3), (-)-Cyathin A3, J2.519.051C, (3aR,5aR,9R,10aR)-9-hydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-propan-2-yl-3,4,5,9,10,10a-hexahydro-2H-cyclohepta[e]inden-6-one
| Molecular Formula | C20H30O3 |
|---|---|
| Molecular Weight | 318.22 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.21948 |
| Heavy Atoms | 23 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 38598-35-5 |
|---|---|
| SMILES | CC(C)C1=C2[C@H]3C[C@H](C(=CC(=O)[C@@]3(CC[C@]2(CC1)C)C)CO)O |
| InChIKey | RGROGZCBGZBCAG-XNFNUYLZSA-N |
Product Overview
Cyathin A3 (CAS 38598-35-5), with molecular formula C20H30O3 and molecular weight 318.22 g/mol. IUPAC: (3aR,5aR,9R,10aR)-9-hydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-propan-2-yl-3,4,5,9,10,10a-hexahydro-2H-cyclohepta[e]inden-6-one.
Chemical Property Profile of Cyathin A3
Property Insights of Cyathin A3
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyathin A3. With a topological polar surface area (TPSA) of 57.5 Ų, Cyathin A3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyathin A3 has 2 hydrogen bond donor(s) and 3 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 Cyathin A3?
The CAS number of Cyathin A3 is 38598-35-5.
What is the molecular formula of Cyathin A3?
The molecular formula of Cyathin A3 is C20H30O3.
What is the molecular weight of Cyathin A3?
The molecular weight of Cyathin A3 is 318.22 g/mol.
Where can I buy Cyathin A3?
You can request a quote for Cyathin A3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyathin A3?
Yes, KEHONG BIO provides custom synthesis services for Cyathin A3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.