![O-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate structure](/static/products/1352/13522-76-4.webp)
O-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate
TL;DR: O-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate (CAS 13522-76-4) 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.
O-[(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: O-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate, O-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)] N,N-dimethylcarbamothioate, N,N-DIMETHYL-1-[(13-METHYL-17-OXO-7,8,9,11,12,14,15,16-OCTAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-3-YL)OXY]METHANETHIOAMIDE
| Molecular Formula | C21H27NO2S |
|---|---|
| Molecular Weight | 357.18 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 61.6 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 | 13522-76-4 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC(=S)N(C)C |
| InChIKey | LYJMSUZAFPBCJV-UHFFFAOYSA-N |
Product Overview
O-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate (CAS 13522-76-4), with molecular formula C21H27NO2S and molecular weight 357.18 g/mol. IUPAC: O-[(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 O-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate
Property Insights of O-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate
The XLogP value of 3.8 indicates that O-[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 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for O-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate. Following Lipinski's Rule of Five, O-[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 O-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate?
The CAS number of O-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate is 13522-76-4.
What is the molecular formula of O-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate?
The molecular formula of O-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate is C21H27NO2S.
What is the molecular weight of O-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate?
The molecular weight of O-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate is 357.18 g/mol.
Where can I buy O-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate?
You can request a quote for O-[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 O-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.