AB00684112-01
TL;DR: AB00684112-01 (CAS 302936-33-0) is a chemical compound with molecular formula C23H21N5O3S2 and molecular weight 479.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-methylphenyl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
Also Known As: AB00684112-01, AB00684112-02, F0239-0989, ethyl 4-(4-methylphenyl)-2-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}thiophene-3-carboxylate, ETHYL 4-(4-METHYLPHENYL)-2-({[(1-PHENYL-1H-TETRAAZOL-5-YL)SULFANYL]ACETYL}AMINO)-3-THIOPHENECARBOXYLATE
| Molecular Formula | C23H21N5O3S2 |
|---|---|
| Molecular Weight | 479.11 g/mol |
| LogP | 4.60672 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 479.10858 |
| Heavy Atoms | 33 |
| Complexity | 1252.8597 |
Chemical Identifiers
| CAS Number | 302936-33-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CSC3=NN=NN3C4=CC=CC=C4 |
Product Overview
AB00684112-01 (CAS 302936-33-0), with molecular formula C23H21N5O3S2 and molecular weight 479.11 g/mol. IUPAC: ethyl 4-(4-methylphenyl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of AB00684112-01
Property Insights of AB00684112-01
The XLogP value of 4.60672 indicates that AB00684112-01 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 AB00684112-01. Following Lipinski's Rule of Five, AB00684112-01 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 AB00684112-01?
The CAS number of AB00684112-01 is 302936-33-0.
What is the molecular formula of AB00684112-01?
The molecular formula of AB00684112-01 is C23H21N5O3S2.
What is the molecular weight of AB00684112-01?
The molecular weight of AB00684112-01 is 479.11 g/mol.
Where can I buy AB00684112-01?
You can request a quote for AB00684112-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684112-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684112-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.