AJ-292/40706649
TL;DR: AJ-292/40706649 (CAS 375836-70-7) is a chemical compound with molecular formula C17H24N2O2S2 and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-(2-methylprop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AJ-292/40706649, ethyl 6-methyl-2-(2-methylprop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-methyl-2-({[(2-methylprop-2-enyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-methyl-2-(3-(2-methylallyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 6-methyl-2-{[(2-methylprop-2-en-1-yl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C17H24N2O2S2 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 3.9121 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.12793 |
| Heavy Atoms | 23 |
| Complexity | 622.35474 |
Chemical Identifiers
| CAS Number | 375836-70-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NCC(=C)C |
Product Overview
AJ-292/40706649 (CAS 375836-70-7), with molecular formula C17H24N2O2S2 and molecular weight 352.13 g/mol. IUPAC: ethyl 6-methyl-2-(2-methylprop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AJ-292/40706649
Property Insights of AJ-292/40706649
The XLogP value of 3.9121 indicates that AJ-292/40706649 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-292/40706649 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/40706649 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-292/40706649?
The CAS number of AJ-292/40706649 is 375836-70-7.
What is the molecular formula of AJ-292/40706649?
The molecular formula of AJ-292/40706649 is C17H24N2O2S2.
What is the molecular weight of AJ-292/40706649?
The molecular weight of AJ-292/40706649 is 352.13 g/mol.
Where can I buy AJ-292/40706649?
You can request a quote for AJ-292/40706649 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/40706649?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/40706649 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.