Proline, 2-(7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)-5-oxo-, methyl ester
TL;DR: Proline, 2-(7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)-5-oxo-, methyl ester (CAS 87245-66-7) is a chemical compound with molecular formula C21H17Cl2N3O3 and molecular weight 429.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R)-2-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]-5-oxopyrrolidine-2-carboxylate
Also Known As: Proline, 2-(7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)-5-oxo-, methyl ester, 2-(7-Chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)-5-oxoproline methyl ester, Methyl 2-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]-5-oxo-L-prolinate, methyl (2R)-2-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]-5-oxopyrrolidine-2-carboxylate, BRN 4596989
| Molecular Formula | C21H17Cl2N3O3 |
|---|---|
| Molecular Weight | 429.06 g/mol |
| LogP | 3.7387 |
| Topological Polar Surface Area | 80.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 429.0647 |
| Heavy Atoms | 29 |
| Complexity | 1080.5911 |
Chemical Identifiers
| CAS Number | 87245-66-7 |
|---|---|
| SMILES | COC(=O)[C@@]1(CCC(=O)N1)C2=NC3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl |
Product Overview
Proline, 2-(7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)-5-oxo-, methyl ester (CAS 87245-66-7), with molecular formula C21H17Cl2N3O3 and molecular weight 429.06 g/mol. IUPAC: methyl (2R)-2-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]-5-oxopyrrolidine-2-carboxylate.
Chemical Property Profile of Proline, 2-(7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)-5-oxo-, methyl ester
Property Insights of Proline, 2-(7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)-5-oxo-, methyl ester
The XLogP value of 3.7387 indicates that Proline, 2-(7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)-5-oxo-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Proline, 2-(7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)-5-oxo-, methyl ester. Following Lipinski's Rule of Five, Proline, 2-(7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)-5-oxo-, methyl ester has 1 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 Proline, 2-(7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)-5-oxo-, methyl ester?
The CAS number of Proline, 2-(7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)-5-oxo-, methyl ester is 87245-66-7.
What is the molecular formula of Proline, 2-(7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)-5-oxo-, methyl ester?
The molecular formula of Proline, 2-(7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)-5-oxo-, methyl ester is C21H17Cl2N3O3.
What is the molecular weight of Proline, 2-(7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)-5-oxo-, methyl ester?
The molecular weight of Proline, 2-(7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)-5-oxo-, methyl ester is 429.06 g/mol.
Where can I buy Proline, 2-(7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)-5-oxo-, methyl ester?
You can request a quote for Proline, 2-(7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)-5-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Proline, 2-(7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)-5-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Proline, 2-(7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)-5-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.