7-Chloro-5-hydroxy-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
TL;DR: 7-Chloro-5-hydroxy-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one (CAS 26013-80-9) is a chemical compound with molecular formula C15H17ClN2O2 and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
Also Known As: 7-Chloro-5-hydroxy-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one, 1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-3-methyl-4-(3-methyl-2-butenyl)-, 7-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione, 7-chloro-3-methyl-4-(3-methylbut-2-en-1-yl)-3,4-dihydro-1h-1,4-benzodiazepine-2,5-dione, 1H-1,4-Benzodiazepine-2,5-dione,7-chloro-3,4-dihydro-3-methyl-4-(3-methyl-2-butenyl)
| Molecular Formula | C15H17ClN2O2 |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.09787 |
| Heavy Atoms | 20 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 26013-80-9 |
|---|---|
| SMILES | CC1C(=O)NC2=C(C=C(C=C2)Cl)C(=O)N1CC=C(C)C |
| InChIKey | FHYISSULXVENEV-UHFFFAOYSA-N |
Product Overview
7-Chloro-5-hydroxy-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one (CAS 26013-80-9), with molecular formula C15H17ClN2O2 and molecular weight 292.10 g/mol. IUPAC: 7-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
Chemical Property Profile of 7-Chloro-5-hydroxy-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
Property Insights of 7-Chloro-5-hydroxy-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-5-hydroxy-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one. With a topological polar surface area (TPSA) of 49.4 Ų, 7-Chloro-5-hydroxy-3-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-5-hydroxy-3-methyl-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-5-hydroxy-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The CAS number of 7-Chloro-5-hydroxy-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is 26013-80-9.
What is the molecular formula of 7-Chloro-5-hydroxy-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The molecular formula of 7-Chloro-5-hydroxy-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is C15H17ClN2O2.
What is the molecular weight of 7-Chloro-5-hydroxy-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The molecular weight of 7-Chloro-5-hydroxy-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is 292.10 g/mol.
Where can I buy 7-Chloro-5-hydroxy-3-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-5-hydroxy-3-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-5-hydroxy-3-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-5-hydroxy-3-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.