RefChem:1065058
TL;DR: RefChem:1065058 (CAS 4130-65-8) is a chemical compound with molecular formula C29H31ClN4O9 and molecular weight 614.18 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-phenyl-1-(2-piperazin-1-ylethyl)-3H-1,4-benzodiazepin-2-one
Also Known As: 7-Chloro-1,3-dihydro-5-phenyl-1-(2-(1-piperazinyl)ethyl)-2H-1,4-benzodiazepin-2-one dimaleate, 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-piperazinyl)ethyl)-, maleate (1:2), 2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-7-CHLORO-5-PHENYL-1-(2-(1-PIPERAZINYL)ET, (Z)-but-2-enedioic acid; 7-chloro-5-phenyl-1-(2-piperazin-1-ylethyl)-3H-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl-1-[2-(1-piperazinyl)ethyl]-, maleate (1:2)
| Molecular Formula | C29H31ClN4O9 |
|---|---|
| Molecular Weight | 614.18 g/mol |
| LogP | 1.8528 |
| Topological Polar Surface Area | 197.14 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 614.178 |
| Heavy Atoms | 43 |
| Complexity | 1321.5807 |
Chemical Identifiers
| CAS Number | 4130-65-8 |
|---|---|
| SMILES | C1NCCN(C1)CCN2C3=C(C(=NCC2=O)C4=CC=CC=C4)C=C(C=C3)Cl.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1065058 (CAS 4130-65-8), with molecular formula C29H31ClN4O9 and molecular weight 614.18 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);7-chloro-5-phenyl-1-(2-piperazin-1-ylethyl)-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of RefChem:1065058
Property Insights of RefChem:1065058
The XLogP value of 1.8528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1065058. The TPSA of 197.14 Ų indicates high polarity, suggesting RefChem:1065058 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1065058 has 5 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:1065058?
The CAS number of RefChem:1065058 is 4130-65-8.
What is the molecular formula of RefChem:1065058?
The molecular formula of RefChem:1065058 is C29H31ClN4O9.
What is the molecular weight of RefChem:1065058?
The molecular weight of RefChem:1065058 is 614.18 g/mol.
Where can I buy RefChem:1065058?
You can request a quote for RefChem:1065058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065058?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.