(3E)-3-(2-Carbamothioylhydrazinylidene)androsta-4,6-dien-17-yl acetate
TL;DR: (3E)-3-(2-Carbamothioylhydrazinylidene)androsta-4,6-dien-17-yl acetate (CAS 68888-69-7) is a chemical compound with molecular formula C22H31N3O2S and molecular weight 401.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3E)-3-(carbamothioylhydrazinylidene)-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: (3E)-3-(2-Carbamothioylhydrazinylidene)androsta-4,6-dien-17-yl acetate, [(3E)-3-(carbamothioylhydrazinylidene)-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
| Molecular Formula | C22H31N3O2S |
|---|---|
| Molecular Weight | 401.21 g/mol |
| LogP | 3.8461 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.21368 |
| Heavy Atoms | 28 |
| Complexity | 788.65137 |
Chemical Identifiers
| CAS Number | 68888-69-7 |
|---|---|
| SMILES | CC(=O)OC1CCC2C1(CCC3C2C=CC4=C/C(=N/NC(=S)N)/CCC34C)C |
Product Overview
(3E)-3-(2-Carbamothioylhydrazinylidene)androsta-4,6-dien-17-yl acetate (CAS 68888-69-7), with molecular formula C22H31N3O2S and molecular weight 401.21 g/mol. IUPAC: [(3E)-3-(carbamothioylhydrazinylidene)-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of (3E)-3-(2-Carbamothioylhydrazinylidene)androsta-4,6-dien-17-yl acetate
Property Insights of (3E)-3-(2-Carbamothioylhydrazinylidene)androsta-4,6-dien-17-yl acetate
The XLogP value of 3.8461 indicates that (3E)-3-(2-Carbamothioylhydrazinylidene)androsta-4,6-dien-17-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (3E)-3-(2-Carbamothioylhydrazinylidene)androsta-4,6-dien-17-yl acetate. Following Lipinski's Rule of Five, (3E)-3-(2-Carbamothioylhydrazinylidene)androsta-4,6-dien-17-yl acetate has 2 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 (3E)-3-(2-Carbamothioylhydrazinylidene)androsta-4,6-dien-17-yl acetate?
The CAS number of (3E)-3-(2-Carbamothioylhydrazinylidene)androsta-4,6-dien-17-yl acetate is 68888-69-7.
What is the molecular formula of (3E)-3-(2-Carbamothioylhydrazinylidene)androsta-4,6-dien-17-yl acetate?
The molecular formula of (3E)-3-(2-Carbamothioylhydrazinylidene)androsta-4,6-dien-17-yl acetate is C22H31N3O2S.
What is the molecular weight of (3E)-3-(2-Carbamothioylhydrazinylidene)androsta-4,6-dien-17-yl acetate?
The molecular weight of (3E)-3-(2-Carbamothioylhydrazinylidene)androsta-4,6-dien-17-yl acetate is 401.21 g/mol.
Where can I buy (3E)-3-(2-Carbamothioylhydrazinylidene)androsta-4,6-dien-17-yl acetate?
You can request a quote for (3E)-3-(2-Carbamothioylhydrazinylidene)androsta-4,6-dien-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 (3E)-3-(2-Carbamothioylhydrazinylidene)androsta-4,6-dien-17-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (3E)-3-(2-Carbamothioylhydrazinylidene)androsta-4,6-dien-17-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.