AB00742891-01
TL;DR: AB00742891-01 (CAS 519151-71-4) is a chemical compound with molecular formula C21H17ClN2O2 and molecular weight 364.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
Also Known As: AB00742891-01, 4-[(4-chlorophenyl)methylidene]-2-methyl-1H,2H,3H,4H-benzo[b]1,6-naphthyridine-10-carboxylic acid, 4-(4-Chloro-benzylidene)-2-methyl-1,2,3,4-tetrahydro-benzo[b][1,6]naphthyridine-10-carboxylic acid, (4E)-4-[(4-chlorophenyl)methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
| Molecular Formula | C21H17ClN2O2 |
|---|---|
| Molecular Weight | 364.10 g/mol |
| LogP | 4.5724 |
| Topological Polar Surface Area | 53.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.09787 |
| Heavy Atoms | 26 |
| Complexity | 1041.8104 |
Chemical Identifiers
| CAS Number | 519151-71-4 |
|---|---|
| SMILES | CN1C/C(=C\C2=CC=C(C=C2)Cl)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)O |
Product Overview
AB00742891-01 (CAS 519151-71-4), with molecular formula C21H17ClN2O2 and molecular weight 364.10 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid.
Chemical Property Profile of AB00742891-01
Property Insights of AB00742891-01
The XLogP value of 4.5724 indicates that AB00742891-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.43 Ų, AB00742891-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00742891-01 has 1 hydrogen bond donor(s) and 3 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 AB00742891-01?
The CAS number of AB00742891-01 is 519151-71-4.
What is the molecular formula of AB00742891-01?
The molecular formula of AB00742891-01 is C21H17ClN2O2.
What is the molecular weight of AB00742891-01?
The molecular weight of AB00742891-01 is 364.10 g/mol.
Where can I buy AB00742891-01?
You can request a quote for AB00742891-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00742891-01?
Yes, KEHONG BIO provides custom synthesis services for AB00742891-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.