7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
TL;DR: 7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one (CAS 2602-40-6) is a chemical compound with molecular formula C17H23ClN2O and molecular weight 306.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-4-(3-methylbut-2-enyl)-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: 7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-(1-methylethyl)-, 7-chloro-4-(3-methylbut-2-en-1-yl)-3-(1-methylethyl)-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-one, 7-chloro-3-isopropyl-4-(3-methylbut-2-enyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one, 7-chloro-4-(3-methylbut-2-enyl)-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
| Molecular Formula | C17H23ClN2O |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.1499 |
| Heavy Atoms | 21 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 2602-40-6 |
|---|---|
| SMILES | CC(C)C1C(=O)NC2=C(CN1CC=C(C)C)C=C(C=C2)Cl |
| InChIKey | ZPOKQPFGUTYRET-UHFFFAOYSA-N |
Product Overview
7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one (CAS 2602-40-6), with molecular formula C17H23ClN2O and molecular weight 306.15 g/mol. IUPAC: 7-chloro-4-(3-methylbut-2-enyl)-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
Property Insights of 7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
The XLogP value of 4.2 indicates that 7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one has 1 hydrogen bond donor(s) and 2 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-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The CAS number of 7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is 2602-40-6.
What is the molecular formula of 7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The molecular formula of 7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is C17H23ClN2O.
What is the molecular weight of 7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The molecular weight of 7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is 306.15 g/mol.
Where can I buy 7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
You can request a quote for 7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one 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-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3-isopropyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.