AJ-292/15366003
TL;DR: AJ-292/15366003 (CAS 59898-57-6) is a chemical compound with molecular formula C20H24N2O2S2 and molecular weight 388.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: AJ-292/15366003, ethyl 2-(benzylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[(benzylcarbamothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-(3-benzylthioureido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ETHYL 2-[(BENZYLCARBAMOTHIOYL)AMINO]-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C20H24N2O2S2 |
|---|---|
| Molecular Weight | 388.13 g/mol |
| LogP | 4.6803 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.12793 |
| Heavy Atoms | 26 |
| Complexity | 771.6184 |
Chemical Identifiers
| CAS Number | 59898-57-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NCC3=CC=CC=C3 |
Product Overview
AJ-292/15366003 (CAS 59898-57-6), with molecular formula C20H24N2O2S2 and molecular weight 388.13 g/mol. IUPAC: ethyl 2-(benzylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of AJ-292/15366003
Property Insights of AJ-292/15366003
The XLogP value of 4.6803 indicates that AJ-292/15366003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, AJ-292/15366003 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/15366003 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 AJ-292/15366003?
The CAS number of AJ-292/15366003 is 59898-57-6.
What is the molecular formula of AJ-292/15366003?
The molecular formula of AJ-292/15366003 is C20H24N2O2S2.
What is the molecular weight of AJ-292/15366003?
The molecular weight of AJ-292/15366003 is 388.13 g/mol.
Where can I buy AJ-292/15366003?
You can request a quote for AJ-292/15366003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/15366003?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/15366003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.