Isoandrololactone
TL;DR: Isoandrololactone (CAS 2061-71-4) is a chemical compound with molecular formula C19H30O3 and molecular weight 306.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,4bR,6aS,8S,10aS,10bS,12aS)-8-hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydronaphtho[2,1-f]chromen-2-one
Also Known As: Isoandrololactone, KST-1A2986, 3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one, J1.061.679D, 3beta-Hydroxy-17a-oxa-D-homo-5alpha-androstane-17-one
| Molecular Formula | C19H30O3 |
|---|---|
| Molecular Weight | 306.22 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.21948 |
| Heavy Atoms | 22 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 2061-71-4 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)O4)C)O |
| InChIKey | SZKJPNYYJWKGMH-BECBKZTQSA-N |
Product Overview
Isoandrololactone (CAS 2061-71-4), with molecular formula C19H30O3 and molecular weight 306.22 g/mol. IUPAC: (4aS,4bR,6aS,8S,10aS,10bS,12aS)-8-hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydronaphtho[2,1-f]chromen-2-one.
Chemical Property Profile of Isoandrololactone
Property Insights of Isoandrololactone
The XLogP value of 3.7 indicates that Isoandrololactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Isoandrololactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoandrololactone has 1 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 Isoandrololactone?
The CAS number of Isoandrololactone is 2061-71-4.
What is the molecular formula of Isoandrololactone?
The molecular formula of Isoandrololactone is C19H30O3.
What is the molecular weight of Isoandrololactone?
The molecular weight of Isoandrololactone is 306.22 g/mol.
Where can I buy Isoandrololactone?
You can request a quote for Isoandrololactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoandrololactone?
Yes, KEHONG BIO provides custom synthesis services for Isoandrololactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.