RefChem:1073487
TL;DR: RefChem:1073487 (CAS 2244-71-5) is a chemical compound with molecular formula C22H27N3O4 and molecular weight 397.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-(11-methyl-6H-benzo[b][1,4]benzodiazepin-5-yl)ethyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 5H-Dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-5-methyl-, maleate, 10,11-Dihydro-(5H)-dibenzo(b,e)(1,4)diazepine, 10-(2-(dimethylamino)ethyl)-5-methyl, maleate, 10H-Dibenzo[b,e][1,4]diazepine-10-ethanamine, 5,11-dihydro-N,N,5-trimethyl-, (Z)-2-butenedioate (1:1), dimethyl-[2-(11-methyl-6H-benzo[b][1,4]benzodiazepin-5-yl)ethyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1073487
| Molecular Formula | C22H27N3O4 |
|---|---|
| Molecular Weight | 397.20 g/mol |
| LogP | 0.2961 |
| Topological Polar Surface Area | 88.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.20016 |
| Heavy Atoms | 29 |
| Complexity | 863.866 |
Chemical Identifiers
| CAS Number | 2244-71-5 |
|---|---|
| SMILES | CN1C2=CC=CC=C2CN(C3=CC=CC=C31)CC[NH+](C)C.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1073487 (CAS 2244-71-5), with molecular formula C22H27N3O4 and molecular weight 397.20 g/mol. IUPAC: dimethyl-[2-(11-methyl-6H-benzo[b][1,4]benzodiazepin-5-yl)ethyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1073487
Property Insights of RefChem:1073487
The XLogP value of 0.2961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1073487. The TPSA of 88.35 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1073487. Following Lipinski's Rule of Five, RefChem:1073487 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:1073487?
The CAS number of RefChem:1073487 is 2244-71-5.
What is the molecular formula of RefChem:1073487?
The molecular formula of RefChem:1073487 is C22H27N3O4.
What is the molecular weight of RefChem:1073487?
The molecular weight of RefChem:1073487 is 397.20 g/mol.
Where can I buy RefChem:1073487?
You can request a quote for RefChem:1073487 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073487?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073487 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.