AB00100949-01
TL;DR: AB00100949-01 (CAS 423729-80-0) is a chemical compound with molecular formula C22H16FN5S and molecular weight 401.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: AB00100949-01, 2-({[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole, 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole, 2-(((5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole
| Molecular Formula | C22H16FN5S |
|---|---|
| Molecular Weight | 401.11 g/mol |
| LogP | 5.242 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.11105 |
| Heavy Atoms | 29 |
| Complexity | 1245.8724 |
Chemical Identifiers
| CAS Number | 423729-80-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5=CC(=CC=C5)F |
Product Overview
AB00100949-01 (CAS 423729-80-0), with molecular formula C22H16FN5S and molecular weight 401.11 g/mol. IUPAC: 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of AB00100949-01
Property Insights of AB00100949-01
The XLogP value of 5.242 indicates that AB00100949-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.39 Ų, AB00100949-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00100949-01 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00100949-01?
The CAS number of AB00100949-01 is 423729-80-0.
What is the molecular formula of AB00100949-01?
The molecular formula of AB00100949-01 is C22H16FN5S.
What is the molecular weight of AB00100949-01?
The molecular weight of AB00100949-01 is 401.11 g/mol.
Where can I buy AB00100949-01?
You can request a quote for AB00100949-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00100949-01?
Yes, KEHONG BIO provides custom synthesis services for AB00100949-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.