(17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol
TL;DR: (17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol (CAS 60413-79-8) is a chemical compound with molecular formula C20H27NO2 and molecular weight 313.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,13R,14S,17S,18S)-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol
Also Known As: (17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol, (17beta)-androsta-2,4-dieno[2,3-d]isoxazol-17-ol, Androst-2-eno[2,3-d]isoxazol-4-en-17beta-ol, (1s,3as,3br,10ar,10bs,12as)-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1h-cyclopenta[7,8]phenanthro[3,2-d][1,2]oxazol-1-ol, (1S,2R,13R,14S,17S,18S)-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol
| Molecular Formula | C20H27NO2 |
|---|---|
| Molecular Weight | 313.20 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 313.2042 |
| Heavy Atoms | 23 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 60413-79-8 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC5=C(C[C@]34C)C=NO5 |
| InChIKey | DYZKECRYCBBYFI-GJCUDGATSA-N |
Product Overview
(17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol (CAS 60413-79-8), with molecular formula C20H27NO2 and molecular weight 313.20 g/mol. IUPAC: (1S,2R,13R,14S,17S,18S)-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol.
Chemical Property Profile of (17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol
Property Insights of (17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol
The XLogP value of 3.9 indicates that (17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.3 Ų, (17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol 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 (17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol?
The CAS number of (17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol is 60413-79-8.
What is the molecular formula of (17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol?
The molecular formula of (17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol is C20H27NO2.
What is the molecular weight of (17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol?
The molecular weight of (17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol is 313.20 g/mol.
Where can I buy (17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol?
You can request a quote for (17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol?
Yes, KEHONG BIO provides custom synthesis services for (17beta)-Androsta-2,4-dieno(2,3-d)isoxazol-17-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.