Algestone
TL;DR: Algestone (CAS 595-77-7) is a chemical compound with molecular formula C21H30O4 and molecular weight 346.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S,16R,17S)-17-acetyl-16,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: ALGESTONE, Alphasone, Algestonum, Algestona, Algestone [INN]
| Molecular Formula | C21H30O4 |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.21442 |
| Heavy Atoms | 25 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 595-77-7 |
|---|---|
| SMILES | CC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O |
| InChIKey | CXDWHYOBSJTRJU-SRWWVFQWSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Algestone (CAS 595-77-7), with molecular formula C21H30O4 and molecular weight 346.21 g/mol. IUPAC: (8R,9S,10R,13S,14S,16R,17S)-17-acetyl-16,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Algestone
Property Insights of Algestone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Algestone. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Algestone. Following Lipinski's Rule of Five, Algestone has 2 hydrogen bond donor(s) and 4 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 Algestone?
The CAS number of Algestone is 595-77-7.
What is the molecular formula of Algestone?
The molecular formula of Algestone is C21H30O4.
What is the molecular weight of Algestone?
The molecular weight of Algestone is 346.21 g/mol.
Where can I buy Algestone?
You can request a quote for Algestone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Algestone?
Yes, KEHONG BIO provides custom synthesis services for Algestone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.