2,3-Dihydro-4,8-dimethyl-1H-1,5-benzodiazepin-2-one
TL;DR: 2,3-Dihydro-4,8-dimethyl-1H-1,5-benzodiazepin-2-one (CAS 36743-69-8) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,8-dimethyl-1,3-dihydro-1,5-benzodiazepin-2-one
Also Known As: 4,8-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one, 2,3-Dihydro-4,8-dimethyl-1H-1,5-benzodiazepin-2-one, 4,8-dimethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one, 4,8-dimethyl-1H,3H-benzo[b]1,4-diazepin-2-one, AH-034/34961028
| Molecular Formula | C11H12N2O |
|---|---|
| Molecular Weight | 188.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.09496 |
| Heavy Atoms | 14 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 36743-69-8 |
|---|---|
| SMILES | CC1=NC2=C(C=C(C=C2)C)NC(=O)C1 |
| InChIKey | TYEJNOPIINEZGI-UHFFFAOYSA-N |
Product Overview
2,3-Dihydro-4,8-dimethyl-1H-1,5-benzodiazepin-2-one (CAS 36743-69-8), with molecular formula C11H12N2O and molecular weight 188.09 g/mol. IUPAC: 4,8-dimethyl-1,3-dihydro-1,5-benzodiazepin-2-one.
Chemical Property Profile of 2,3-Dihydro-4,8-dimethyl-1H-1,5-benzodiazepin-2-one
Property Insights of 2,3-Dihydro-4,8-dimethyl-1H-1,5-benzodiazepin-2-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-4,8-dimethyl-1H-1,5-benzodiazepin-2-one. With a topological polar surface area (TPSA) of 41.5 Ų, 2,3-Dihydro-4,8-dimethyl-1H-1,5-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydro-4,8-dimethyl-1H-1,5-benzodiazepin-2-one 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 2,3-Dihydro-4,8-dimethyl-1H-1,5-benzodiazepin-2-one?
The CAS number of 2,3-Dihydro-4,8-dimethyl-1H-1,5-benzodiazepin-2-one is 36743-69-8.
What is the molecular formula of 2,3-Dihydro-4,8-dimethyl-1H-1,5-benzodiazepin-2-one?
The molecular formula of 2,3-Dihydro-4,8-dimethyl-1H-1,5-benzodiazepin-2-one is C11H12N2O.
What is the molecular weight of 2,3-Dihydro-4,8-dimethyl-1H-1,5-benzodiazepin-2-one?
The molecular weight of 2,3-Dihydro-4,8-dimethyl-1H-1,5-benzodiazepin-2-one is 188.09 g/mol.
Where can I buy 2,3-Dihydro-4,8-dimethyl-1H-1,5-benzodiazepin-2-one?
You can request a quote for 2,3-Dihydro-4,8-dimethyl-1H-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 2,3-Dihydro-4,8-dimethyl-1H-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-4,8-dimethyl-1H-1,5-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.