2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-5-(1-oxo-2-butenyl)-
TL;DR: 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-5-(1-oxo-2-butenyl)- (CAS 144400-94-2) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-but-2-enoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Also Known As: 1,3,4,5-Tetrahydro-4-methyl-5-(1-oxo-2-butenyl)-2H-1,5-benzodiazepin-2-one, J1.478.852B, 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-5-(1-oxo-2-butenyl)-, 5-[(E)-but-2-enoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one, 5-[(2E)-BUT-2-ENOYL]-4-METHYL-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-2-ONE
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 2.3264 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 508.2704 |
Chemical Identifiers
| CAS Number | 144400-94-2 |
|---|---|
| SMILES | C/C=C/C(=O)N1C(CC(=O)NC2=CC=CC=C21)C |
Product Overview
2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-5-(1-oxo-2-butenyl)- (CAS 144400-94-2), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: 5-[(E)-but-2-enoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
Chemical Property Profile of 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-5-(1-oxo-2-butenyl)-
Property Insights of 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-5-(1-oxo-2-butenyl)-
The XLogP value of 2.3264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-5-(1-oxo-2-butenyl)-. With a topological polar surface area (TPSA) of 49.41 Ų, 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-5-(1-oxo-2-butenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-5-(1-oxo-2-butenyl)- 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-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-5-(1-oxo-2-butenyl)-?
The CAS number of 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-5-(1-oxo-2-butenyl)- is 144400-94-2.
What is the molecular formula of 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-5-(1-oxo-2-butenyl)-?
The molecular formula of 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-5-(1-oxo-2-butenyl)- is C14H16N2O2.
What is the molecular weight of 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-5-(1-oxo-2-butenyl)-?
The molecular weight of 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-5-(1-oxo-2-butenyl)- is 244.12 g/mol.
Where can I buy 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-5-(1-oxo-2-butenyl)-?
You can request a quote for 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-5-(1-oxo-2-butenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-5-(1-oxo-2-butenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-methyl-5-(1-oxo-2-butenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.