AI-204/31760033
TL;DR: AI-204/31760033 (CAS 444792-30-7) is a chemical compound with molecular formula C15H19N5O3S2 and molecular weight 381.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AI-204/31760033, ethyl 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-((1-methyl-1H-tetrazol-5-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-({[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C15H19N5O3S2 |
|---|---|
| Molecular Weight | 381.09 g/mol |
| LogP | 2.0579 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.09293 |
| Heavy Atoms | 25 |
| Complexity | 786.224 |
Chemical Identifiers
| CAS Number | 444792-30-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=NN3C |
Product Overview
AI-204/31760033 (CAS 444792-30-7), with molecular formula C15H19N5O3S2 and molecular weight 381.09 g/mol. IUPAC: ethyl 2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AI-204/31760033
Property Insights of AI-204/31760033
The XLogP value of 2.0579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AI-204/31760033. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AI-204/31760033. Following Lipinski's Rule of Five, AI-204/31760033 has 1 hydrogen bond donor(s) and 8 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 AI-204/31760033?
The CAS number of AI-204/31760033 is 444792-30-7.
What is the molecular formula of AI-204/31760033?
The molecular formula of AI-204/31760033 is C15H19N5O3S2.
What is the molecular weight of AI-204/31760033?
The molecular weight of AI-204/31760033 is 381.09 g/mol.
Where can I buy AI-204/31760033?
You can request a quote for AI-204/31760033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-204/31760033?
Yes, KEHONG BIO provides custom synthesis services for AI-204/31760033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.