BRN 5172246
TL;DR: BRN 5172246 (CAS 84507-77-7) is a chemical compound with molecular formula C24H18ClN3O4 and molecular weight 447.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzoyl]amino]benzoate
Also Known As: Benzoic acid, 4-((4-((5-chloro-1,2-dihydro-1-methyl-2-oxo-3H-indol-3-ylidene)amino)benzoyl)amino)-, methyl ester, methyl 4-[[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzoyl]amino]benzoate, BRN 5172246
| Molecular Formula | C24H18ClN3O4 |
|---|---|
| Molecular Weight | 447.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.09857 |
| Heavy Atoms | 32 |
| Complexity | 756.0 |
Chemical Identifiers
| CAS Number | 84507-77-7 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Cl)C(=NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)OC)C1=O |
| InChIKey | KVMSEESRVCSEIR-UHFFFAOYSA-N |
Product Overview
BRN 5172246 (CAS 84507-77-7), with molecular formula C24H18ClN3O4 and molecular weight 447.10 g/mol. IUPAC: methyl 4-[[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzoyl]amino]benzoate.
Chemical Property Profile of BRN 5172246
Property Insights of BRN 5172246
The XLogP value of 4.1 indicates that BRN 5172246 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 5172246. Following Lipinski's Rule of Five, BRN 5172246 has 1 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 BRN 5172246?
The CAS number of BRN 5172246 is 84507-77-7.
What is the molecular formula of BRN 5172246?
The molecular formula of BRN 5172246 is C24H18ClN3O4.
What is the molecular weight of BRN 5172246?
The molecular weight of BRN 5172246 is 447.10 g/mol.
Where can I buy BRN 5172246?
You can request a quote for BRN 5172246 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 5172246?
Yes, KEHONG BIO provides custom synthesis services for BRN 5172246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.