2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-(2-oxopropylidene)-
TL;DR: 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-(2-oxopropylidene)- (CAS 111008-23-2) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxopropylidene)-1,5-dihydro-1,5-benzodiazepin-4-one
Also Known As: NCI60_005813, acetylmethylene-4 benzodiazepine-1,5 one-2, 2-(2-oxopropylidene)-1,5-dihydro-1,5-benzodiazepin-4-one, 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-(2-oxopropylidene)-, 2-acetonylidene-1,5-dihydro-1,5-benzodiazepin-4-one
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 111008-23-2 |
|---|---|
| SMILES | CC(=O)C=C1CC(=O)NC2=CC=CC=C2N1 |
| InChIKey | RCYMCAMDQNXWCC-UHFFFAOYSA-N |
Product Overview
2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-(2-oxopropylidene)- (CAS 111008-23-2), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 2-(2-oxopropylidene)-1,5-dihydro-1,5-benzodiazepin-4-one.
Chemical Property Profile of 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-(2-oxopropylidene)-
Property Insights of 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-(2-oxopropylidene)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-(2-oxopropylidene)-. With a topological polar surface area (TPSA) of 58.2 Ų, 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-(2-oxopropylidene)- 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-(2-oxopropylidene)- has 2 hydrogen bond donor(s) and 3 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-(2-oxopropylidene)-?
The CAS number of 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-(2-oxopropylidene)- is 111008-23-2.
What is the molecular formula of 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-(2-oxopropylidene)-?
The molecular formula of 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-(2-oxopropylidene)- is C12H12N2O2.
What is the molecular weight of 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-(2-oxopropylidene)-?
The molecular weight of 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-(2-oxopropylidene)- is 216.09 g/mol.
Where can I buy 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-(2-oxopropylidene)-?
You can request a quote for 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-(2-oxopropylidene)- 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-(2-oxopropylidene)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-(2-oxopropylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.