AB00413700-04
TL;DR: AB00413700-04 (CAS 847403-47-8) is a chemical compound with molecular formula C18H14ClN5O2S2 and molecular weight 431.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(3-chlorophenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AB00413700-04, F0665-0611, 2-((4-(3-chlorophenyl)-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, 2-{[4-(3-chlorophenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-[[4-(3-chlorophenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C18H14ClN5O2S2 |
|---|---|
| Molecular Weight | 431.03 g/mol |
| LogP | 2.9228 |
| Topological Polar Surface Area | 95.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.02774 |
| Heavy Atoms | 28 |
| Complexity | 1230.1721 |
Chemical Identifiers
| CAS Number | 847403-47-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)S2)CC3=NN=C(N3C4=CC(=CC=C4)Cl)SCC(=O)N |
Product Overview
AB00413700-04 (CAS 847403-47-8), with molecular formula C18H14ClN5O2S2 and molecular weight 431.03 g/mol. IUPAC: 2-[[4-(3-chlorophenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00413700-04
Property Insights of AB00413700-04
The XLogP value of 2.9228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00413700-04. The TPSA of 95.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00413700-04. Following Lipinski's Rule of Five, AB00413700-04 has 1 hydrogen bond donor(s) and 6 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 AB00413700-04?
The CAS number of AB00413700-04 is 847403-47-8.
What is the molecular formula of AB00413700-04?
The molecular formula of AB00413700-04 is C18H14ClN5O2S2.
What is the molecular weight of AB00413700-04?
The molecular weight of AB00413700-04 is 431.03 g/mol.
Where can I buy AB00413700-04?
You can request a quote for AB00413700-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00413700-04?
Yes, KEHONG BIO provides custom synthesis services for AB00413700-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.