RefChem:1071888
TL;DR: RefChem:1071888 (CAS 37922-73-9) is a chemical compound with molecular formula C25H27N3O5 and molecular weight 449.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-phenyl-3-(2-pyrrolidin-1-ylethyl)-5H-2,3-benzodiazepin-4-one
Also Known As: LD-W 511-69, 4H-2,3-Benzodiazepin-4-one, 3,5-dihydro-1-phenyl-3-(2-(1-pyrrolidinyl)ethyl)-, (Z)-2-butenedioate, Phenyl-1 beta-pyrrolidino-ethyl-3 5H-benzodiazepine-2,3 one-4 maleate acide [French], Phenyl-1 beta-pyrrolidino-ethyl-3 5H-benzodiazepine-2,3 one-4 maleate acide, (E)-but-2-enedioic acid; 1-phenyl-3-(2-pyrrolidin-1-ylethyl)-5H-2,3-benzodiazepin-4-one
| Molecular Formula | C25H27N3O5 |
|---|---|
| Molecular Weight | 449.20 g/mol |
| LogP | 2.6313 |
| Topological Polar Surface Area | 110.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.19507 |
| Heavy Atoms | 33 |
| Complexity | 1027.0177 |
Chemical Identifiers
| CAS Number | 37922-73-9 |
|---|---|
| SMILES | C1CCN(C1)CCN2C(=O)CC3=CC=CC=C3C(=N2)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1071888 (CAS 37922-73-9), with molecular formula C25H27N3O5 and molecular weight 449.20 g/mol. IUPAC: (E)-but-2-enedioic acid;1-phenyl-3-(2-pyrrolidin-1-ylethyl)-5H-2,3-benzodiazepin-4-one.
Chemical Property Profile of RefChem:1071888
Property Insights of RefChem:1071888
The XLogP value of 2.6313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071888. The TPSA of 110.51 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071888. Following Lipinski's Rule of Five, RefChem:1071888 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 RefChem:1071888?
The CAS number of RefChem:1071888 is 37922-73-9.
What is the molecular formula of RefChem:1071888?
The molecular formula of RefChem:1071888 is C25H27N3O5.
What is the molecular weight of RefChem:1071888?
The molecular weight of RefChem:1071888 is 449.20 g/mol.
Where can I buy RefChem:1071888?
You can request a quote for RefChem:1071888 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071888?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071888 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.