AJ-292/40461007
TL;DR: AJ-292/40461007 (CAS 403662-79-3) is a chemical compound with molecular formula C20H22N2O3S2 and molecular weight 402.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzoylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: AJ-292/40461007, ethyl 2-(benzoylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-(3-benzoylthioureido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-{[(benzoylamino)carbonothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-{[(benzoylamino)carbothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C20H22N2O3S2 |
|---|---|
| Molecular Weight | 402.11 g/mol |
| LogP | 4.3205 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.10718 |
| Heavy Atoms | 27 |
| Complexity | 846.41174 |
Chemical Identifiers
| CAS Number | 403662-79-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C3=CC=CC=C3 |
Product Overview
AJ-292/40461007 (CAS 403662-79-3), with molecular formula C20H22N2O3S2 and molecular weight 402.11 g/mol. IUPAC: ethyl 2-(benzoylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of AJ-292/40461007
Property Insights of AJ-292/40461007
The XLogP value of 4.3205 indicates that AJ-292/40461007 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/40461007. Following Lipinski's Rule of Five, AJ-292/40461007 has 2 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 AJ-292/40461007?
The CAS number of AJ-292/40461007 is 403662-79-3.
What is the molecular formula of AJ-292/40461007?
The molecular formula of AJ-292/40461007 is C20H22N2O3S2.
What is the molecular weight of AJ-292/40461007?
The molecular weight of AJ-292/40461007 is 402.11 g/mol.
Where can I buy AJ-292/40461007?
You can request a quote for AJ-292/40461007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/40461007?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/40461007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.