2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-phenyl-
TL;DR: 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-phenyl- (CAS 26029-01-6) is a chemical compound with molecular formula C20H21ClN2O and molecular weight 340.13 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-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-phenyl-, 7-Chloro-1-methyl-4-(3-methyl-but-2-enyl)-3-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one, 7-chloro-4-(3-methylbut-2-en-1-yl)-3-phenyl-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-one, 7-chloro-4-(3-methylbut-2-enyl)-3-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one,7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-buten-1-yl)-3-phenyl-
| Molecular Formula | C20H21ClN2O |
|---|---|
| Molecular Weight | 340.13 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.13425 |
| Heavy Atoms | 24 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 26029-01-6 |
|---|---|
| SMILES | CC(=CCN1CC2=C(C=CC(=C2)Cl)NC(=O)C1C3=CC=CC=C3)C |
| InChIKey | NCPKELQLDXFRKP-UHFFFAOYSA-N |
Product Overview
2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-phenyl- (CAS 26029-01-6), with molecular formula C20H21ClN2O and molecular weight 340.13 g/mol. IUPAC: 7-chloro-4-(3-methylbut-2-enyl)-3-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-phenyl-
Property Insights of 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-phenyl-
The XLogP value of 4.6 indicates that 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-phenyl- 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 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-phenyl-?
The CAS number of 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-phenyl- is 26029-01-6.
What is the molecular formula of 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-phenyl-?
The molecular formula of 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-phenyl- is C20H21ClN2O.
What is the molecular weight of 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-phenyl-?
The molecular weight of 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-phenyl- is 340.13 g/mol.
Where can I buy 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-phenyl-?
You can request a quote for 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-4-(3-methyl-2-butenyl)-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.