1,8-dimethyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one
TL;DR: 1,8-dimethyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one (CAS 313365-01-4) is a chemical compound with molecular formula C17H16N2O and molecular weight 264.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-dimethyl-4-phenyl-3H-1,5-benzodiazepin-2-one
Also Known As: ChemDiv1_028379, MixCom6_000571, 1,8-dimethyl-4-phenyl-3H-1,5-benzodiazepin-2-one, 1,8-dimethyl-4-phenyl-1h-benzo[b][1,4]diazepin-2(3h)-one, 1,8-dimethyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one
| Molecular Formula | C17H16N2O |
|---|---|
| Molecular Weight | 264.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.12625 |
| Heavy Atoms | 20 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 313365-01-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(CC(=O)N2C)C3=CC=CC=C3 |
| InChIKey | SGVVWOHWNFMJAG-UHFFFAOYSA-N |
Product Overview
1,8-dimethyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one (CAS 313365-01-4), with molecular formula C17H16N2O and molecular weight 264.13 g/mol. IUPAC: 1,8-dimethyl-4-phenyl-3H-1,5-benzodiazepin-2-one.
Chemical Property Profile of 1,8-dimethyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one
Property Insights of 1,8-dimethyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one
The XLogP value of 3.0 indicates that 1,8-dimethyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 1,8-dimethyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8-dimethyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one has 0 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 1,8-dimethyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one?
The CAS number of 1,8-dimethyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one is 313365-01-4.
What is the molecular formula of 1,8-dimethyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one?
The molecular formula of 1,8-dimethyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one is C17H16N2O.
What is the molecular weight of 1,8-dimethyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one?
The molecular weight of 1,8-dimethyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one is 264.13 g/mol.
Where can I buy 1,8-dimethyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one?
You can request a quote for 1,8-dimethyl-4-phenyl-1,3-dihydro-2H-1,5-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 1,8-dimethyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,8-dimethyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.