C31H31ClN4O5
TL;DR: C31H31ClN4O5 (CAS 84496-18-4) is a chemical compound with molecular formula C31H31ClN4O5 and molecular weight 574.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[4-[[5-chloro-1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]amino]benzoyl]amino]benzoate
Also Known As: Benzoic acid, 4-((4-((5-chloro-1,2-dihydro-1-(4-morpholinylmethyl)-2-oxo-3H-indol-3-ylidene)amino)benzoyl)amino)-, butyl ester, butyl 4-[[4-[[5-chloro-1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]amino]benzoyl]amino]benzoate, BRN 5202851
| Molecular Formula | C31H31ClN4O5 |
|---|---|
| Molecular Weight | 574.20 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 574.1983 |
| Heavy Atoms | 41 |
| Complexity | 941.0 |
Chemical Identifiers
| CAS Number | 84496-18-4 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N=C3C4=C(C=CC(=C4)Cl)N(C3=O)CN5CCOCC5 |
| InChIKey | ZKIHLNKABPBPAI-UHFFFAOYSA-N |
Product Overview
C31H31ClN4O5 (CAS 84496-18-4), with molecular formula C31H31ClN4O5 and molecular weight 574.20 g/mol. IUPAC: butyl 4-[[4-[[5-chloro-1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]amino]benzoyl]amino]benzoate.
Chemical Property Profile of C31H31ClN4O5
Property Insights of C31H31ClN4O5
The XLogP value of 5.1 indicates that C31H31ClN4O5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C31H31ClN4O5. Following Lipinski's Rule of Five, C31H31ClN4O5 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C31H31ClN4O5?
The CAS number of C31H31ClN4O5 is 84496-18-4.
What is the molecular formula of C31H31ClN4O5?
The molecular formula of C31H31ClN4O5 is C31H31ClN4O5.
What is the molecular weight of C31H31ClN4O5?
The molecular weight of C31H31ClN4O5 is 574.20 g/mol.
Where can I buy C31H31ClN4O5?
You can request a quote for C31H31ClN4O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H31ClN4O5?
Yes, KEHONG BIO provides custom synthesis services for C31H31ClN4O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.