RefChem:1071891
TL;DR: RefChem:1071891 (CAS 37922-66-0) is a chemical compound with molecular formula C26H29N3O6 and molecular weight 479.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-(3-morpholin-4-ylpropyl)-1-phenyl-5H-2,3-benzodiazepin-4-one
Also Known As: LD-W 507-69, Phenyl-1 gamma-morpholino propyl-3 5H-benzodiazepine-one-4 maleate acide [French], 4H-2,3-Benzodiazepin-4-one, 3,5-dihydro-3-(3-(4-morpholinyl)propyl)-1-phenyl-, (Z)-2-butenedioate, Phenyl-1 gamma-morpholino propyl-3 5H-benzodiazepine-one-4 maleate acide, (E)-but-2-enedioic acid; 3-(3-morpholin-4-ylpropyl)-1-phenyl-5H-2,3-benzodiazepin-4-one
| Molecular Formula | C26H29N3O6 |
|---|---|
| Molecular Weight | 479.21 g/mol |
| LogP | 2.2578 |
| Topological Polar Surface Area | 119.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.20563 |
| Heavy Atoms | 35 |
| Complexity | 1061.5045 |
Chemical Identifiers
| CAS Number | 37922-66-0 |
|---|---|
| SMILES | C1COCCN1CCCN2C(=O)CC3=CC=CC=C3C(=N2)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1071891 (CAS 37922-66-0), with molecular formula C26H29N3O6 and molecular weight 479.21 g/mol. IUPAC: (E)-but-2-enedioic acid;3-(3-morpholin-4-ylpropyl)-1-phenyl-5H-2,3-benzodiazepin-4-one.
Chemical Property Profile of RefChem:1071891
Property Insights of RefChem:1071891
The XLogP value of 2.2578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071891. The TPSA of 119.74 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071891. Following Lipinski's Rule of Five, RefChem:1071891 has 2 hydrogen bond donor(s) and 6 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:1071891?
The CAS number of RefChem:1071891 is 37922-66-0.
What is the molecular formula of RefChem:1071891?
The molecular formula of RefChem:1071891 is C26H29N3O6.
What is the molecular weight of RefChem:1071891?
The molecular weight of RefChem:1071891 is 479.21 g/mol.
Where can I buy RefChem:1071891?
You can request a quote for RefChem:1071891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071891?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.