AB00110105-01
TL;DR: AB00110105-01 (CAS 311314-05-3) is a chemical compound with molecular formula C25H24N4O3S and molecular weight 460.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AB00110105-01, A1185/0054807, N-benzyl-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-benzyl-2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-benzyl-2-((5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C25H24N4O3S |
|---|---|
| Molecular Weight | 460.16 g/mol |
| LogP | 4.36 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 460.15692 |
| Heavy Atoms | 33 |
| Complexity | 1213.0713 |
Chemical Identifiers
| CAS Number | 311314-05-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=CC=CC=C4)OC |
Product Overview
AB00110105-01 (CAS 311314-05-3), with molecular formula C25H24N4O3S and molecular weight 460.16 g/mol. IUPAC: N-benzyl-2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00110105-01
Property Insights of AB00110105-01
The XLogP value of 4.36 indicates that AB00110105-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00110105-01. Following Lipinski's Rule of Five, AB00110105-01 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 AB00110105-01?
The CAS number of AB00110105-01 is 311314-05-3.
What is the molecular formula of AB00110105-01?
The molecular formula of AB00110105-01 is C25H24N4O3S.
What is the molecular weight of AB00110105-01?
The molecular weight of AB00110105-01 is 460.16 g/mol.
Where can I buy AB00110105-01?
You can request a quote for AB00110105-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00110105-01?
Yes, KEHONG BIO provides custom synthesis services for AB00110105-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.