RefChem:1065057
TL;DR: RefChem:1065057 (CAS 1755-81-3) is a chemical compound with molecular formula C31H34ClFN4O9 and molecular weight 660.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((Z)-but-2-enedioic acid);7-chloro-5-(2-fluorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-3H-1,4-benzodiazepin-2-one
Also Known As: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-fluorophenyl)-1-(3-(4-methyl-1-piperazinyl)propyl)-, maleate (1:2), 2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-7-CHLORO-5-(o-FLUOROPHENYL)-1-(3-(4-METH, (Z)-but-2-enedioic acid; 7-chloro-5-(2-fluorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-3H-1,4-benzodiazepin-2-one, (Z)-but-2-enedioic acid;7-chloro-5-(2-fluorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-3H-1,4-benzodiazepin-2-one, RefChem:1065057
| Molecular Formula | C31H34ClFN4O9 |
|---|---|
| Molecular Weight | 660.20 g/mol |
| LogP | 2.7242 |
| Topological Polar Surface Area | 188.35 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 660.1998 |
| Heavy Atoms | 46 |
| Complexity | 1438.5803 |
Chemical Identifiers
| CAS Number | 1755-81-3 |
|---|---|
| SMILES | CN1CCN(CC1)CCCN2C3=C(C(=NCC2=O)C4=CC=CC=C4F)C=C(C=C3)Cl.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1065057 (CAS 1755-81-3), with molecular formula C31H34ClFN4O9 and molecular weight 660.20 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);7-chloro-5-(2-fluorophenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of RefChem:1065057
Property Insights of RefChem:1065057
The XLogP value of 2.7242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1065057. The TPSA of 188.35 Ų indicates high polarity, suggesting RefChem:1065057 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1065057 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1065057?
The CAS number of RefChem:1065057 is 1755-81-3.
What is the molecular formula of RefChem:1065057?
The molecular formula of RefChem:1065057 is C31H34ClFN4O9.
What is the molecular weight of RefChem:1065057?
The molecular weight of RefChem:1065057 is 660.20 g/mol.
Where can I buy RefChem:1065057?
You can request a quote for RefChem:1065057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065057?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.