RefChem:1065042
TL;DR: RefChem:1065042 (CAS 1064-65-9) is a chemical compound with molecular formula C38H44ClFN4O14 and molecular weight 834.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris((Z)-but-2-enedioic acid);7-chloro-1-[3-[4-(2-ethoxyethyl)piperazin-1-yl]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
Also Known As: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(3-(4-(2-ethoxyethyl)-1-piperazinyl)propyl)-5-(o-fluorophenyl)-, maleate (1:3), (Z)-but-2-enedioic acid; 7-chloro-1-[3-[4-(2-ethoxyethyl)piperazin-1-yl]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one, 2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-7-CHLORO-1-(3-(4-(2-ETHOXYETHYL)-1-PIPER, RefChem:1065042
| Molecular Formula | C38H44ClFN4O14 |
|---|---|
| Molecular Weight | 834.25 g/mol |
| LogP | 2.8427 |
| Topological Polar Surface Area | 272.18 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 834.2527 |
| Heavy Atoms | 58 |
| Complexity | 1730.4208 |
Chemical Identifiers
| CAS Number | 1064-65-9 |
|---|---|
| SMILES | CCOCCN1CCN(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.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1065042 (CAS 1064-65-9), with molecular formula C38H44ClFN4O14 and molecular weight 834.25 g/mol. IUPAC: tris((Z)-but-2-enedioic acid);7-chloro-1-[3-[4-(2-ethoxyethyl)piperazin-1-yl]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of RefChem:1065042
Property Insights of RefChem:1065042
The XLogP value of 2.8427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1065042. The TPSA of 272.18 Ų indicates high polarity, suggesting RefChem:1065042 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1065042 has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1065042?
The CAS number of RefChem:1065042 is 1064-65-9.
What is the molecular formula of RefChem:1065042?
The molecular formula of RefChem:1065042 is C38H44ClFN4O14.
What is the molecular weight of RefChem:1065042?
The molecular weight of RefChem:1065042 is 834.25 g/mol.
Where can I buy RefChem:1065042?
You can request a quote for RefChem:1065042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065042?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.