AB00111144-01
TL;DR: AB00111144-01 (CAS 429640-61-9) is a chemical compound with molecular formula C26H20ClN3O3S and molecular weight 489.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide
Also Known As: AB00111144-01, N-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide, N-[(3-{[(2-chlorophenyl)carbonyl]amino}phenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide, N-[[3-[(2-chlorobenzoyl)amino]phenyl]thiocarbamoyl]-3-methoxy-naphthalene-2-carboxamide
| Molecular Formula | C26H20ClN3O3S |
|---|---|
| Molecular Weight | 489.09 g/mol |
| LogP | 5.8809 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.0914 |
| Heavy Atoms | 34 |
| Complexity | 1407.2075 |
Chemical Identifiers
| CAS Number | 429640-61-9 |
|---|---|
| SMILES | COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4Cl |
Product Overview
AB00111144-01 (CAS 429640-61-9), with molecular formula C26H20ClN3O3S and molecular weight 489.09 g/mol. IUPAC: N-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide.
Chemical Property Profile of AB00111144-01
Property Insights of AB00111144-01
The XLogP value of 5.8809 indicates that AB00111144-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00111144-01. Following Lipinski's Rule of Five, AB00111144-01 has 3 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 AB00111144-01?
The CAS number of AB00111144-01 is 429640-61-9.
What is the molecular formula of AB00111144-01?
The molecular formula of AB00111144-01 is C26H20ClN3O3S.
What is the molecular weight of AB00111144-01?
The molecular weight of AB00111144-01 is 489.09 g/mol.
Where can I buy AB00111144-01?
You can request a quote for AB00111144-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111144-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111144-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.