AN-329/42613584
TL;DR: AN-329/42613584 (CAS 791794-19-9) is a chemical compound with molecular formula C15H20N2O3S2 and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methylpropanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AN-329/42613584, methyl 2-(2-methylpropanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-{[(isobutyrylamino)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-{[(isobutyrylamino)carbothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-{[(2-methylpropanoyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C15H20N2O3S2 |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 2.8825 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.09152 |
| Heavy Atoms | 22 |
| Complexity | 608.1739 |
Chemical Identifiers
| CAS Number | 791794-19-9 |
|---|---|
| SMILES | CC(C)C(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC |
Product Overview
AN-329/42613584 (CAS 791794-19-9), with molecular formula C15H20N2O3S2 and molecular weight 340.09 g/mol. IUPAC: methyl 2-(2-methylpropanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AN-329/42613584
Property Insights of AN-329/42613584
The XLogP value of 2.8825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-329/42613584. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/42613584. Following Lipinski's Rule of Five, AN-329/42613584 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-329/42613584?
The CAS number of AN-329/42613584 is 791794-19-9.
What is the molecular formula of AN-329/42613584?
The molecular formula of AN-329/42613584 is C15H20N2O3S2.
What is the molecular weight of AN-329/42613584?
The molecular weight of AN-329/42613584 is 340.09 g/mol.
Where can I buy AN-329/42613584?
You can request a quote for AN-329/42613584 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/42613584?
Yes, KEHONG BIO provides custom synthesis services for AN-329/42613584 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.