RefChem:1065055
TL;DR: RefChem:1065055 (CAS 1064-66-0) is a chemical compound with molecular formula C34H38ClFN4O10 and molecular weight 716.23 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-1-[3-[4-(2-ethenoxyethyl)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-5-(o-fluorophenyl)-1-(3-(4-(2-(vinyloxy)ethyl)-1-piperazinyl)propyl)-, maleate (1:2), (Z)-but-2-enedioic acid; 7-chloro-1-[3-[4-(2-ethenoxyethyl)piperazin-1-yl]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one, (Z)-but-2-enedioic acid;7-chloro-1-[3-[4-(2-ethenoxyethyl)piperazin-1-yl]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one, 2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-7-CHLORO-5-(o-FLUOROPHENYL)-1-(3-(4-(2-(, RefChem:1065055
| Molecular Formula | C34H38ClFN4O10 |
|---|---|
| Molecular Weight | 716.23 g/mol |
| LogP | 3.2545 |
| Topological Polar Surface Area | 197.58 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 716.2261 |
| Heavy Atoms | 50 |
| Complexity | 1539.9866 |
Chemical Identifiers
| CAS Number | 1064-66-0 |
|---|---|
| SMILES | C=COCCN1CCN(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:1065055 (CAS 1064-66-0), with molecular formula C34H38ClFN4O10 and molecular weight 716.23 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);7-chloro-1-[3-[4-(2-ethenoxyethyl)piperazin-1-yl]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of RefChem:1065055
Property Insights of RefChem:1065055
The XLogP value of 3.2545 indicates that RefChem:1065055 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.58 Ų indicates high polarity, suggesting RefChem:1065055 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1065055 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1065055?
The CAS number of RefChem:1065055 is 1064-66-0.
What is the molecular formula of RefChem:1065055?
The molecular formula of RefChem:1065055 is C34H38ClFN4O10.
What is the molecular weight of RefChem:1065055?
The molecular weight of RefChem:1065055 is 716.23 g/mol.
Where can I buy RefChem:1065055?
You can request a quote for RefChem:1065055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065055?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.