AB00104761-01
TL;DR: AB00104761-01 (CAS 303199-35-1) is a chemical compound with molecular formula C21H17ClN4O2 and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: AB00104761-01, 1-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine, (E)-1-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine, (E)-N-(3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)benzylidene)-4H-1,2,4-triazol-4-amine, 5-((1E)-2-(1,2,4-triazol-4-yl)-2-azavinyl)-1-chloro-3-methoxy-2-(naphthylmetho xy)benzene
| Molecular Formula | C21H17ClN4O2 |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 4.5545 |
| Topological Polar Surface Area | 61.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.104 |
| Heavy Atoms | 28 |
| Complexity | 1121.4258 |
Chemical Identifiers
| CAS Number | 303199-35-1 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=N/N2C=NN=C2)Cl)OCC3=CC=CC4=CC=CC=C43 |
Product Overview
AB00104761-01 (CAS 303199-35-1), with molecular formula C21H17ClN4O2 and molecular weight 392.10 g/mol. IUPAC: (E)-1-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of AB00104761-01
Property Insights of AB00104761-01
The XLogP value of 4.5545 indicates that AB00104761-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00104761-01. Following Lipinski's Rule of Five, AB00104761-01 has 0 hydrogen bond donor(s) and 5 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 AB00104761-01?
The CAS number of AB00104761-01 is 303199-35-1.
What is the molecular formula of AB00104761-01?
The molecular formula of AB00104761-01 is C21H17ClN4O2.
What is the molecular weight of AB00104761-01?
The molecular weight of AB00104761-01 is 392.10 g/mol.
Where can I buy AB00104761-01?
You can request a quote for AB00104761-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00104761-01?
Yes, KEHONG BIO provides custom synthesis services for AB00104761-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.