1H-1,4-Benzodiazepine-2,5-dione, 3-benzylidene-3,4-dihydro-4-methyl-
TL;DR: 1H-1,4-Benzodiazepine-2,5-dione, 3-benzylidene-3,4-dihydro-4-methyl- (CAS 31965-37-4) is a chemical compound with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylidene-4-methyl-1H-1,4-benzodiazepine-2,5-dione
Also Known As: Dehydrocyclopeptine, Dehydrocyclopepine, 3-benzylidene-4-methyl-1H-1,4-benzodiazepine-2,5-dione, 1H-1,4-Benzodiazepine-2,5-dione, 3-benzylidene-3,4-dihydro-4-methyl-, 3-Benzylidene-2-hydroxy-4-methyl-3,4-dihydro-5H-1,4-benzodiazepin-5-one
| Molecular Formula | C17H14N2O2 |
|---|---|
| Molecular Weight | 278.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.10553 |
| Heavy Atoms | 21 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 31965-37-4 |
|---|---|
| SMILES | CN1C(=CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3C1=O |
| InChIKey | FYVKHLSOIIPVEH-UHFFFAOYSA-N |
Product Overview
1H-1,4-Benzodiazepine-2,5-dione, 3-benzylidene-3,4-dihydro-4-methyl- (CAS 31965-37-4), with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol. IUPAC: 3-benzylidene-4-methyl-1H-1,4-benzodiazepine-2,5-dione.
Chemical Property Profile of 1H-1,4-Benzodiazepine-2,5-dione, 3-benzylidene-3,4-dihydro-4-methyl-
Property Insights of 1H-1,4-Benzodiazepine-2,5-dione, 3-benzylidene-3,4-dihydro-4-methyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,4-Benzodiazepine-2,5-dione, 3-benzylidene-3,4-dihydro-4-methyl-. With a topological polar surface area (TPSA) of 49.4 Ų, 1H-1,4-Benzodiazepine-2,5-dione, 3-benzylidene-3,4-dihydro-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,4-Benzodiazepine-2,5-dione, 3-benzylidene-3,4-dihydro-4-methyl- 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 1H-1,4-Benzodiazepine-2,5-dione, 3-benzylidene-3,4-dihydro-4-methyl-?
The CAS number of 1H-1,4-Benzodiazepine-2,5-dione, 3-benzylidene-3,4-dihydro-4-methyl- is 31965-37-4.
What is the molecular formula of 1H-1,4-Benzodiazepine-2,5-dione, 3-benzylidene-3,4-dihydro-4-methyl-?
The molecular formula of 1H-1,4-Benzodiazepine-2,5-dione, 3-benzylidene-3,4-dihydro-4-methyl- is C17H14N2O2.
What is the molecular weight of 1H-1,4-Benzodiazepine-2,5-dione, 3-benzylidene-3,4-dihydro-4-methyl-?
The molecular weight of 1H-1,4-Benzodiazepine-2,5-dione, 3-benzylidene-3,4-dihydro-4-methyl- is 278.11 g/mol.
Where can I buy 1H-1,4-Benzodiazepine-2,5-dione, 3-benzylidene-3,4-dihydro-4-methyl-?
You can request a quote for 1H-1,4-Benzodiazepine-2,5-dione, 3-benzylidene-3,4-dihydro-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,4-Benzodiazepine-2,5-dione, 3-benzylidene-3,4-dihydro-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,4-Benzodiazepine-2,5-dione, 3-benzylidene-3,4-dihydro-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.