AN-329/42607807
TL;DR: AN-329/42607807 (CAS 791792-05-7) is a chemical compound with molecular formula C16H22N2O3S2 and molecular weight 354.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-methylbutanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AN-329/42607807, methyl 2-({[(3-methylbutanoyl)amino]carbonothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(3-methylbutanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-{[(3-methylbutanoyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-({[(3-methylbutanoyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C16H22N2O3S2 |
|---|---|
| Molecular Weight | 354.11 g/mol |
| LogP | 3.2726 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.10718 |
| Heavy Atoms | 23 |
| Complexity | 623.0867 |
Chemical Identifiers
| CAS Number | 791792-05-7 |
|---|---|
| SMILES | CC(C)CC(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC |
Product Overview
AN-329/42607807 (CAS 791792-05-7), with molecular formula C16H22N2O3S2 and molecular weight 354.11 g/mol. IUPAC: methyl 2-(3-methylbutanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AN-329/42607807
Property Insights of AN-329/42607807
The XLogP value of 3.2726 indicates that AN-329/42607807 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 AN-329/42607807. Following Lipinski's Rule of Five, AN-329/42607807 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 AN-329/42607807?
The CAS number of AN-329/42607807 is 791792-05-7.
What is the molecular formula of AN-329/42607807?
The molecular formula of AN-329/42607807 is C16H22N2O3S2.
What is the molecular weight of AN-329/42607807?
The molecular weight of AN-329/42607807 is 354.11 g/mol.
Where can I buy AN-329/42607807?
You can request a quote for AN-329/42607807 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/42607807?
Yes, KEHONG BIO provides custom synthesis services for AN-329/42607807 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.