RefChem:1059268
TL;DR: RefChem:1059268 (CAS 59749-71-2) 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.
(Z)-4-hydroxy-4-oxobut-2-enoate;1-phenyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-2,3-benzodiazepin-4-one
Also Known As: 2,3-(4H)-Benzodiazepin-4-one, 3,5-dihydro-1-phenyl-3-(2-pyrrolidinylethyl)-, maleate, 3,5-Dihydro-1-phenyl-3-(2-pyrrolidinylethyl)-2,3-(4H)-benzodiazepin-4-one maleate, (Z)-4-hydroxy-4-oxobut-2-enoate; 1-phenyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-2,3-benzodiazepin-4-one, RefChem:1059268
| Molecular Formula | C25H27N3O5 |
|---|---|
| Molecular Weight | 449.20 g/mol |
| LogP | -0.1205 |
| Topological Polar Surface Area | 114.54 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 | 59749-71-2 |
|---|---|
| SMILES | C1CC[NH+](C1)CCN2C(=O)CC3=CC=CC=C3C(=N2)C4=CC=CC=C4.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1059268 (CAS 59749-71-2), with molecular formula C25H27N3O5 and molecular weight 449.20 g/mol. IUPAC: (Z)-4-hydroxy-4-oxobut-2-enoate;1-phenyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-5H-2,3-benzodiazepin-4-one.
Chemical Property Profile of RefChem:1059268
Property Insights of RefChem:1059268
The XLogP value of -0.1205 indicates that RefChem:1059268 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.54 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1059268. Following Lipinski's Rule of Five, RefChem:1059268 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:1059268?
The CAS number of RefChem:1059268 is 59749-71-2.
What is the molecular formula of RefChem:1059268?
The molecular formula of RefChem:1059268 is C25H27N3O5.
What is the molecular weight of RefChem:1059268?
The molecular weight of RefChem:1059268 is 449.20 g/mol.
Where can I buy RefChem:1059268?
You can request a quote for RefChem:1059268 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1059268?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1059268 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.