AB00667976-01
TL;DR: AB00667976-01 (CAS 391899-74-4) is a chemical compound with molecular formula C17H14ClFN4OS and molecular weight 376.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(3-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide
Also Known As: AB00667976-01, F0507-0903, N-((4-(3-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)-3-fluorobenzamide, N-[[4-(3-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide, N-{[4-(3-chlorophenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide
| Molecular Formula | C17H14ClFN4OS |
|---|---|
| Molecular Weight | 376.06 g/mol |
| LogP | 3.7117 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.0561 |
| Heavy Atoms | 25 |
| Complexity | 915.16846 |
Chemical Identifiers
| CAS Number | 391899-74-4 |
|---|---|
| SMILES | CSC1=NN=C(N1C2=CC(=CC=C2)Cl)CNC(=O)C3=CC(=CC=C3)F |
Product Overview
AB00667976-01 (CAS 391899-74-4), with molecular formula C17H14ClFN4OS and molecular weight 376.06 g/mol. IUPAC: N-[[4-(3-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide.
Chemical Property Profile of AB00667976-01
Property Insights of AB00667976-01
The XLogP value of 3.7117 indicates that AB00667976-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AB00667976-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00667976-01 has 1 hydrogen bond donor(s) and 4 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 AB00667976-01?
The CAS number of AB00667976-01 is 391899-74-4.
What is the molecular formula of AB00667976-01?
The molecular formula of AB00667976-01 is C17H14ClFN4OS.
What is the molecular weight of AB00667976-01?
The molecular weight of AB00667976-01 is 376.06 g/mol.
Where can I buy AB00667976-01?
You can request a quote for AB00667976-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00667976-01?
Yes, KEHONG BIO provides custom synthesis services for AB00667976-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.