2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1)
TL;DR: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1) (CAS 1061-06-9) is a chemical compound with molecular formula C25H26ClN3O5 and molecular weight 483.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;7-chloro-5-phenyl-1-(2-pyrrolidin-1-ylethyl)-3H-1,4-benzodiazepin-2-one
Also Known As: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1), 2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-7-CHLORO-5-PHENYL-1-(2-(1-PYRROLIDINYL)E, (Z)-but-2-enedioic acid; 7-chloro-5-phenyl-1-(2-pyrrolidin-1-ylethyl)-3H-1,4-benzodiazepin-2-one, (Z)-but-2-enedioic acid;7-chloro-5-phenyl-1-(2-pyrrolidin-1-ylethyl)-3H-1,4-benzodiazepin-2-one, RefChem:1065059
| Molecular Formula | C25H26ClN3O5 |
|---|---|
| Molecular Weight | 483.16 g/mol |
| LogP | 3.3316 |
| Topological Polar Surface Area | 110.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.1561 |
| Heavy Atoms | 34 |
| Complexity | 1078.9849 |
Chemical Identifiers
| CAS Number | 1061-06-9 |
|---|---|
| SMILES | C1CCN(C1)CCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4.C(=C\C(=O)O)\C(=O)O |
Product Overview
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1) (CAS 1061-06-9), with molecular formula C25H26ClN3O5 and molecular weight 483.16 g/mol. IUPAC: (Z)-but-2-enedioic acid;7-chloro-5-phenyl-1-(2-pyrrolidin-1-ylethyl)-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1)
Property Insights of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1)
The XLogP value of 3.3316 indicates that 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1). Following Lipinski's Rule of Five, 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1) has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1)?
The CAS number of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1) is 1061-06-9.
What is the molecular formula of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1)?
The molecular formula of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1) is C25H26ClN3O5.
What is the molecular weight of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1)?
The molecular weight of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1) is 483.16 g/mol.
Where can I buy 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1)?
You can request a quote for 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.