AN-329/40171572
TL;DR: AN-329/40171572 (CAS 791789-25-8) 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.
ethyl 2-(2-methylpropanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AN-329/40171572, ethyl 2-(2-methylpropanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{[(isobutyrylamino)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{[(isobutyrylamino)carbothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{[(2-methylpropanoyl)carbamothioyl]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 | 791789-25-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C(C)C |
Product Overview
AN-329/40171572 (CAS 791789-25-8), with molecular formula C16H22N2O3S2 and molecular weight 354.11 g/mol. IUPAC: ethyl 2-(2-methylpropanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AN-329/40171572
Property Insights of AN-329/40171572
The XLogP value of 3.2726 indicates that AN-329/40171572 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-329/40171572. Following Lipinski's Rule of Five, AN-329/40171572 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-329/40171572?
The CAS number of AN-329/40171572 is 791789-25-8.
What is the molecular formula of AN-329/40171572?
The molecular formula of AN-329/40171572 is C16H22N2O3S2.
What is the molecular weight of AN-329/40171572?
The molecular weight of AN-329/40171572 is 354.11 g/mol.
Where can I buy AN-329/40171572?
You can request a quote for AN-329/40171572 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/40171572?
Yes, KEHONG BIO provides custom synthesis services for AN-329/40171572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.