AF-399/34134015
TL;DR: AF-399/34134015 (CAS 306278-26-2) is a chemical compound with molecular formula C20H21N5O3S2 and molecular weight 443.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AF-399/34134015, F0239-0264, ethyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H21N5O3S2 |
|---|---|
| Molecular Weight | 443.11 g/mol |
| LogP | 3.5101 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.10858 |
| Heavy Atoms | 30 |
| Complexity | 1048.1516 |
Chemical Identifiers
| CAS Number | 306278-26-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=NN3C4=CC=CC=C4 |
Product Overview
AF-399/34134015 (CAS 306278-26-2), with molecular formula C20H21N5O3S2 and molecular weight 443.11 g/mol. IUPAC: ethyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AF-399/34134015
Property Insights of AF-399/34134015
The XLogP value of 3.5101 indicates that AF-399/34134015 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/34134015. Following Lipinski's Rule of Five, AF-399/34134015 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 AF-399/34134015?
The CAS number of AF-399/34134015 is 306278-26-2.
What is the molecular formula of AF-399/34134015?
The molecular formula of AF-399/34134015 is C20H21N5O3S2.
What is the molecular weight of AF-399/34134015?
The molecular weight of AF-399/34134015 is 443.11 g/mol.
Where can I buy AF-399/34134015?
You can request a quote for AF-399/34134015 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/34134015?
Yes, KEHONG BIO provides custom synthesis services for AF-399/34134015 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.