![S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate structure](/static/products/1486/14864-27-8.webp)
S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate
TL;DR: S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate (CAS 14864-27-8) is a chemical compound with molecular formula C21H27NO2S and molecular weight 357.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)] N,N-dimethylcarbamothioate
Also Known As: S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate, S-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)] N,N-dimethylcarbamothioate
| Molecular Formula | C21H27NO2S |
|---|---|
| Molecular Weight | 357.18 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.17624 |
| Heavy Atoms | 25 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 14864-27-8 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)SC(=O)N(C)C |
| InChIKey | ZUOLMXQQBJUDAM-UHFFFAOYSA-N |
Product Overview
S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate (CAS 14864-27-8), with molecular formula C21H27NO2S and molecular weight 357.18 g/mol. IUPAC: S-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)] N,N-dimethylcarbamothioate.
Chemical Property Profile of S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate
Property Insights of S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate
The XLogP value of 3.8 indicates that S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate. Following Lipinski's Rule of Five, S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate has 0 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 S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate?
The CAS number of S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate is 14864-27-8.
What is the molecular formula of S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate?
The molecular formula of S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate is C21H27NO2S.
What is the molecular weight of S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate?
The molecular weight of S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate is 357.18 g/mol.
Where can I buy S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate?
You can request a quote for S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.