RefChem:1073486
TL;DR: RefChem:1073486 (CAS 2244-72-6) is a chemical compound with molecular formula C21H25N3O4 and molecular weight 383.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 5H-Dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-, maleate, 10,11-Dihydro-(5H)-dibenzo(b,e)(1,4)diazepine, 10-(2-(dimethylamino)ethyl)-, maleate, 10H-Dibenzo[b,e][1,4]diazepine-10-ethanamine, 5,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1), 2-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1073486
| Molecular Formula | C21H25N3O4 |
|---|---|
| Molecular Weight | 383.18 g/mol |
| LogP | 0.2718 |
| Topological Polar Surface Area | 97.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.1845 |
| Heavy Atoms | 28 |
| Complexity | 833.04926 |
Chemical Identifiers
| CAS Number | 2244-72-6 |
|---|---|
| SMILES | C[NH+](C)CCN1CC2=CC=CC=C2NC3=CC=CC=C31.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1073486 (CAS 2244-72-6), with molecular formula C21H25N3O4 and molecular weight 383.18 g/mol. IUPAC: 2-(6,11-dihydrobenzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1073486
Property Insights of RefChem:1073486
The XLogP value of 0.2718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1073486. The TPSA of 97.14 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1073486. Following Lipinski's Rule of Five, RefChem:1073486 has 3 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:1073486?
The CAS number of RefChem:1073486 is 2244-72-6.
What is the molecular formula of RefChem:1073486?
The molecular formula of RefChem:1073486 is C21H25N3O4.
What is the molecular weight of RefChem:1073486?
The molecular weight of RefChem:1073486 is 383.18 g/mol.
Where can I buy RefChem:1073486?
You can request a quote for RefChem:1073486 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073486?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073486 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.