AF-399/15539104
TL;DR: AF-399/15539104 (CAS 379248-06-3) is a chemical compound with molecular formula C22H19N5O3S2 and molecular weight 465.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-phenyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
Also Known As: AF-399/15539104, ethyl 5-phenyl-2-({[(1-phenyl-1H-tetraazol-5-yl)thio]acetyl}amino)-3-thiophenecarboxylate, ethyl 5-phenyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate, ethyl 5-phenyl-2-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)thiophene-3-carboxylate, ethyl 5-phenyl-2-({[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylate
| Molecular Formula | C22H19N5O3S2 |
|---|---|
| Molecular Weight | 465.09 g/mol |
| LogP | 4.2983 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.09293 |
| Heavy Atoms | 32 |
| Complexity | 1208.8064 |
Chemical Identifiers
| CAS Number | 379248-06-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NN=NN3C4=CC=CC=C4 |
Product Overview
AF-399/15539104 (CAS 379248-06-3), with molecular formula C22H19N5O3S2 and molecular weight 465.09 g/mol. IUPAC: ethyl 5-phenyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of AF-399/15539104
Property Insights of AF-399/15539104
The XLogP value of 4.2983 indicates that AF-399/15539104 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-399/15539104. Following Lipinski's Rule of Five, AF-399/15539104 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-399/15539104?
The CAS number of AF-399/15539104 is 379248-06-3.
What is the molecular formula of AF-399/15539104?
The molecular formula of AF-399/15539104 is C22H19N5O3S2.
What is the molecular weight of AF-399/15539104?
The molecular weight of AF-399/15539104 is 465.09 g/mol.
Where can I buy AF-399/15539104?
You can request a quote for AF-399/15539104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15539104?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15539104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.