7-Chloro-3-isopropyl-1-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
TL;DR: 7-Chloro-3-isopropyl-1-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one (CAS 26028-97-7) is a chemical compound with molecular formula C18H25ClN2O and molecular weight 320.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1-methyl-4-(3-methylbut-2-enyl)-3-propan-2-yl-3,5-dihydro-1,4-benzodiazepin-2-one
Also Known As: 7-Chloro-3-isopropyl-1-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one, 7-chloro-3-isopropyl-1-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-1-methyl-4-(3-methyl-2-butenyl)-3-(1-methylethyl)-, monohydrochloride, 2H-1,4-Benzodiazepin-2-one,7-chloro-1,3,4,5-tetrahydro-1-methyl-4-(3-methyl-2-buten-1-yl)-3-(1-methylethyl)-,hydrochloride (1:1), 7-Chloro-1-methyl-4-(3-methylbut-2-en-1-yl)-3-(propan-2-yl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
| Molecular Formula | C18H25ClN2O |
|---|---|
| Molecular Weight | 320.17 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.16553 |
| Heavy Atoms | 22 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 26028-97-7 |
|---|---|
| SMILES | CC(C)C1C(=O)N(C2=C(CN1CC=C(C)C)C=C(C=C2)Cl)C |
| InChIKey | UZXPNCNKFFENGC-UHFFFAOYSA-N |
Product Overview
7-Chloro-3-isopropyl-1-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one (CAS 26028-97-7), with molecular formula C18H25ClN2O and molecular weight 320.17 g/mol. IUPAC: 7-chloro-1-methyl-4-(3-methylbut-2-enyl)-3-propan-2-yl-3,5-dihydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of 7-Chloro-3-isopropyl-1-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
Property Insights of 7-Chloro-3-isopropyl-1-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
The XLogP value of 4.4 indicates that 7-Chloro-3-isopropyl-1-methyl-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 23.6 Ų, 7-Chloro-3-isopropyl-1-methyl-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-1-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one has 0 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-1-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The CAS number of 7-Chloro-3-isopropyl-1-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is 26028-97-7.
What is the molecular formula of 7-Chloro-3-isopropyl-1-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The molecular formula of 7-Chloro-3-isopropyl-1-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is C18H25ClN2O.
What is the molecular weight of 7-Chloro-3-isopropyl-1-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The molecular weight of 7-Chloro-3-isopropyl-1-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is 320.17 g/mol.
Where can I buy 7-Chloro-3-isopropyl-1-methyl-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-1-methyl-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-1-methyl-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-1-methyl-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.