1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylene-dioxy-3,4-dihydro-5H-2,3-benzodiazepine
TL;DR: 1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylene-dioxy-3,4-dihydro-5H-2,3-benzodiazepine (CAS 143692-40-4) is a chemical compound with molecular formula C19H20ClN3O3 and molecular weight 373.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-aminophenyl)-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethanone;hydrochloride
Also Known As: 1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylene-dioxy-3,4-dihydro-5H-2,3-benzodiazepine, 7H-1,3-Dioxolo(4,5-h)(2,3)benzodiazepine, 8,9-dihydro-7-acetyl-5-(4-aminophenyl)-8-methyl-, monohydrochloride, 1-[5-(4-aminophenyl)-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethanone;hydrochloride, 1- -3-acetyl-4-methyl-7,8-methylene-dioxy-3,4-dihydro-5H-2,3-benzodiazepine, 1-[5-(4-Aminophenyl)-8-methyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethan-1-one--hydrogen chloride (1/1)
| Molecular Formula | C19H20ClN3O3 |
|---|---|
| Molecular Weight | 373.12 g/mol |
| LogP | 2.9648 |
| Topological Polar Surface Area | 77.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 373.11932 |
| Heavy Atoms | 26 |
| Complexity | 880.34326 |
Chemical Identifiers
| CAS Number | 143692-40-4 |
|---|---|
| SMILES | CC1CC2=CC3=C(C=C2C(=NN1C(=O)C)C4=CC=C(C=C4)N)OCO3.Cl |
Product Overview
1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylene-dioxy-3,4-dihydro-5H-2,3-benzodiazepine (CAS 143692-40-4), with molecular formula C19H20ClN3O3 and molecular weight 373.12 g/mol. IUPAC: 1-[5-(4-aminophenyl)-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethanone;hydrochloride.
Chemical Property Profile of 1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylene-dioxy-3,4-dihydro-5H-2,3-benzodiazepine
Property Insights of 1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylene-dioxy-3,4-dihydro-5H-2,3-benzodiazepine
The XLogP value of 2.9648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylene-dioxy-3,4-dihydro-5H-2,3-benzodiazepine. The TPSA of 77.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylene-dioxy-3,4-dihydro-5H-2,3-benzodiazepine. Following Lipinski's Rule of Five, 1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylene-dioxy-3,4-dihydro-5H-2,3-benzodiazepine has 1 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 1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylene-dioxy-3,4-dihydro-5H-2,3-benzodiazepine?
The CAS number of 1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylene-dioxy-3,4-dihydro-5H-2,3-benzodiazepine is 143692-40-4.
What is the molecular formula of 1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylene-dioxy-3,4-dihydro-5H-2,3-benzodiazepine?
The molecular formula of 1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylene-dioxy-3,4-dihydro-5H-2,3-benzodiazepine is C19H20ClN3O3.
What is the molecular weight of 1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylene-dioxy-3,4-dihydro-5H-2,3-benzodiazepine?
The molecular weight of 1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylene-dioxy-3,4-dihydro-5H-2,3-benzodiazepine is 373.12 g/mol.
Where can I buy 1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylene-dioxy-3,4-dihydro-5H-2,3-benzodiazepine?
You can request a quote for 1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylene-dioxy-3,4-dihydro-5H-2,3-benzodiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylene-dioxy-3,4-dihydro-5H-2,3-benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Aminophenyl)-3-acetyl-4-methyl-7,8-methylene-dioxy-3,4-dihydro-5H-2,3-benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.