7-Chloro-3-isopropyl-1-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester
TL;DR: 7-Chloro-3-isopropyl-1-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester (CAS 26028-65-9) is a chemical compound with molecular formula C18H25ClN2O3 and molecular weight 352.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 7-chloro-1-methyl-2-oxo-3-propan-2-yl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate
Also Known As: 7-Chloro-3-isopropyl-1-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester, 4H-1,4-Benzodiazepine-4-carboxylic acid, 7-chloro-1,2,3,5-tetrahydro-1-methyl-3-(1-methylethyl)-2-oxo-, 1,1-dimethylethyl ester, tert-butyl 7-chloro-1-methyl-2-oxo-3-propan-2-yl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate, 4H-1,4-Benzodiazepine-4-carboxylic acid,7-chloro-1,2,3,5-tetrahydro-1-methyl-3-(1-methylethyl)-2-oxo-,1,1-dimethylethyl ester, 4H-1,4-Benzodiazepine-4-carboxylicacid, 7-chloro-1,2,3,5-tetrahydro-1-methyl-3-(1-methylethyl)-2-oxo-,1,1-dimethylethyl ester
| Molecular Formula | C18H25ClN2O3 |
|---|---|
| Molecular Weight | 352.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.15536 |
| Heavy Atoms | 24 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 26028-65-9 |
|---|---|
| SMILES | CC(C)C1C(=O)N(C2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)Cl)C |
| InChIKey | MJAWXHVMZGHCBV-UHFFFAOYSA-N |
Product Overview
7-Chloro-3-isopropyl-1-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester (CAS 26028-65-9), with molecular formula C18H25ClN2O3 and molecular weight 352.16 g/mol. IUPAC: tert-butyl 7-chloro-1-methyl-2-oxo-3-propan-2-yl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate.
Chemical Property Profile of 7-Chloro-3-isopropyl-1-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester
Property Insights of 7-Chloro-3-isopropyl-1-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester
The XLogP value of 3.8 indicates that 7-Chloro-3-isopropyl-1-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, 7-Chloro-3-isopropyl-1-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-3-isopropyl-1-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester has 0 hydrogen bond donor(s) and 3 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 7-Chloro-3-isopropyl-1-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester?
The CAS number of 7-Chloro-3-isopropyl-1-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester is 26028-65-9.
What is the molecular formula of 7-Chloro-3-isopropyl-1-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester?
The molecular formula of 7-Chloro-3-isopropyl-1-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester is C18H25ClN2O3.
What is the molecular weight of 7-Chloro-3-isopropyl-1-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester?
The molecular weight of 7-Chloro-3-isopropyl-1-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester is 352.16 g/mol.
Where can I buy 7-Chloro-3-isopropyl-1-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester?
You can request a quote for 7-Chloro-3-isopropyl-1-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-3-isopropyl-1-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3-isopropyl-1-methyl-2-oxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.