BRN 5175588
TL;DR: BRN 5175588 (CAS 84496-09-3) is a chemical compound with molecular formula C25H20ClN3O4 and molecular weight 461.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 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)-, ethyl ester, ethyl 4-[[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzoyl]amino]benzoate, BRN 5175588
| Molecular Formula | C25H20ClN3O4 |
|---|---|
| Molecular Weight | 461.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.11423 |
| Heavy Atoms | 33 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 84496-09-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N=C3C4=C(C=CC(=C4)Cl)N(C3=O)C |
| InChIKey | AQJUAIRAHUEADE-UHFFFAOYSA-N |
Product Overview
BRN 5175588 (CAS 84496-09-3), with molecular formula C25H20ClN3O4 and molecular weight 461.11 g/mol. IUPAC: ethyl 4-[[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzoyl]amino]benzoate.
Chemical Property Profile of BRN 5175588
Property Insights of BRN 5175588
The XLogP value of 4.4 indicates that BRN 5175588 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 5175588. Following Lipinski's Rule of Five, BRN 5175588 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 5175588?
The CAS number of BRN 5175588 is 84496-09-3.
What is the molecular formula of BRN 5175588?
The molecular formula of BRN 5175588 is C25H20ClN3O4.
What is the molecular weight of BRN 5175588?
The molecular weight of BRN 5175588 is 461.11 g/mol.
Where can I buy BRN 5175588?
You can request a quote for BRN 5175588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 5175588?
Yes, KEHONG BIO provides custom synthesis services for BRN 5175588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.