7-Chloro-3-isopropyl-1-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
TL;DR: 7-Chloro-3-isopropyl-1-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one (CAS 26028-68-2) is a chemical compound with molecular formula C13H17ClN2O and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1-methyl-3-propan-2-yl-4,5-dihydro-3H-1,4-benzodiazepin-2-one
Also Known As: 7-Chloro-3-isopropyl-1-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-1-methyl-3-(1-methylethyl)-, 7-chloro-1-methyl-3-propan-2-yl-4,5-dihydro-3H-1,4-benzodiazepin-2-one, 7-chloro-3-isopropyl-1-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one,7-chloro-1,3,4,5-tetrahydro-1-methyl-3-(1-methylethyl)-
| Molecular Formula | C13H17ClN2O |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.10294 |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 26028-68-2 |
|---|---|
| SMILES | CC(C)C1C(=O)N(C2=C(CN1)C=C(C=C2)Cl)C |
| InChIKey | DDFHCENLQCJMHR-UHFFFAOYSA-N |
Product Overview
7-Chloro-3-isopropyl-1-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one (CAS 26028-68-2), with molecular formula C13H17ClN2O and molecular weight 252.10 g/mol. IUPAC: 7-chloro-1-methyl-3-propan-2-yl-4,5-dihydro-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 7-Chloro-3-isopropyl-1-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
Property Insights of 7-Chloro-3-isopropyl-1-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-3-isopropyl-1-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one. With a topological polar surface area (TPSA) of 32.3 Ų, 7-Chloro-3-isopropyl-1-methyl-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-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-1-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The CAS number of 7-Chloro-3-isopropyl-1-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is 26028-68-2.
What is the molecular formula of 7-Chloro-3-isopropyl-1-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The molecular formula of 7-Chloro-3-isopropyl-1-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is C13H17ClN2O.
What is the molecular weight of 7-Chloro-3-isopropyl-1-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The molecular weight of 7-Chloro-3-isopropyl-1-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is 252.10 g/mol.
Where can I buy 7-Chloro-3-isopropyl-1-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
You can request a quote for 7-Chloro-3-isopropyl-1-methyl-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-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3-isopropyl-1-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.