3,11,17-Trioxoandrost-4-en-9-yl thiocyanate
TL;DR: 3,11,17-Trioxoandrost-4-en-9-yl thiocyanate (CAS 74634-56-3) is a chemical compound with molecular formula C20H23NO3S and molecular weight 357.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10,13-dimethyl-3,11,17-trioxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-9-yl) thiocyanate
Also Known As: 3,11,17-Trioxoandrost-4-en-9-yl thiocyanate, Dibenz(a,h)anthracene-3,4-diol, 3,4-dihydro-, trans-(+-)-, (10,13-dimethyl-3,11,17-trioxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-9-yl) thiocyanate, [(8S,9R,10S,13S,14S)-10,13-dimethyl-3,11,17-trioxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-9-yl] thiocyanate
| Molecular Formula | C20H23NO3S |
|---|---|
| Molecular Weight | 357.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 357.13986 |
| Heavy Atoms | 25 |
| Complexity | 777.0 |
Chemical Identifiers
| CAS Number | 74634-56-3 |
|---|---|
| SMILES | CC12CCC(=O)C=C1CCC3C2(C(=O)CC4(C3CCC4=O)C)SC#N |
| InChIKey | DWIXJBBZGSOVLL-UHFFFAOYSA-N |
Product Overview
3,11,17-Trioxoandrost-4-en-9-yl thiocyanate (CAS 74634-56-3), with molecular formula C20H23NO3S and molecular weight 357.14 g/mol. IUPAC: (10,13-dimethyl-3,11,17-trioxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-9-yl) thiocyanate.
Chemical Property Profile of 3,11,17-Trioxoandrost-4-en-9-yl thiocyanate
Property Insights of 3,11,17-Trioxoandrost-4-en-9-yl thiocyanate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,11,17-Trioxoandrost-4-en-9-yl thiocyanate. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,11,17-Trioxoandrost-4-en-9-yl thiocyanate. Following Lipinski's Rule of Five, 3,11,17-Trioxoandrost-4-en-9-yl thiocyanate has 0 hydrogen bond donor(s) and 5 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 3,11,17-Trioxoandrost-4-en-9-yl thiocyanate?
The CAS number of 3,11,17-Trioxoandrost-4-en-9-yl thiocyanate is 74634-56-3.
What is the molecular formula of 3,11,17-Trioxoandrost-4-en-9-yl thiocyanate?
The molecular formula of 3,11,17-Trioxoandrost-4-en-9-yl thiocyanate is C20H23NO3S.
What is the molecular weight of 3,11,17-Trioxoandrost-4-en-9-yl thiocyanate?
The molecular weight of 3,11,17-Trioxoandrost-4-en-9-yl thiocyanate is 357.14 g/mol.
Where can I buy 3,11,17-Trioxoandrost-4-en-9-yl thiocyanate?
You can request a quote for 3,11,17-Trioxoandrost-4-en-9-yl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,11,17-Trioxoandrost-4-en-9-yl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 3,11,17-Trioxoandrost-4-en-9-yl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.