![[3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate structure](/static/products/2279/22796-03-8.webp)
[3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
TL;DR: [3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate (CAS 22796-03-8) is a chemical compound with molecular formula C23H31NO3S and molecular weight 401.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: [3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate|3-[(dimethylcarbamothioyl)oxy]estra-1,3,5(10)-trien-17-yl acetate
| Molecular Formula | C23H31NO3S |
|---|---|
| Molecular Weight | 401.20 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.20245 |
| Heavy Atoms | 28 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 22796-03-8 |
|---|---|
| SMILES | CC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=S)N(C)C)C |
| InChIKey | GQZNFJMIFMSYRX-UHFFFAOYSA-N |
Product Overview
[3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate (CAS 22796-03-8), with molecular formula C23H31NO3S and molecular weight 401.20 g/mol. IUPAC: [3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of [3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Property Insights of [3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
The XLogP value of 4.0 indicates that [3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate. Following Lipinski's Rule of Five, [3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate has 0 hydrogen bond donor(s) and 4 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-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate?
The CAS number of [3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate is 22796-03-8.
What is the molecular formula of [3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate?
The molecular formula of [3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate is C23H31NO3S.
What is the molecular weight of [3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate?
The molecular weight of [3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate is 401.20 g/mol.
Where can I buy [3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate?
You can request a quote for [3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.