4,5-Dihydro-7,8-dimethyl-1H-1,5-benzodiazepin-2(3H)-one
TL;DR: 4,5-Dihydro-7,8-dimethyl-1H-1,5-benzodiazepin-2(3H)-one (CAS 36332-52-2) is a chemical compound with molecular formula C11H14N2O and molecular weight 190.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
Also Known As: 4,5-dihydro-7,8-dimethyl-1h-1,5-benzodiazepin-2(3h)-one, 7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one, 7,8-dimethyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 7,8-Dimethyl-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one, 9,10-dimethyl-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-5-one
| Molecular Formula | C11H14N2O |
|---|---|
| Molecular Weight | 190.11 g/mol |
| LogP | 2.05754 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.11061 |
| Heavy Atoms | 14 |
| Complexity | 385.11908 |
Chemical Identifiers
| CAS Number | 36332-52-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)NC(=O)CCN2 |
Product Overview
4,5-Dihydro-7,8-dimethyl-1H-1,5-benzodiazepin-2(3H)-one (CAS 36332-52-2), with molecular formula C11H14N2O and molecular weight 190.11 g/mol. IUPAC: 7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one.
Chemical Property Profile of 4,5-Dihydro-7,8-dimethyl-1H-1,5-benzodiazepin-2(3H)-one
Property Insights of 4,5-Dihydro-7,8-dimethyl-1H-1,5-benzodiazepin-2(3H)-one
The XLogP value of 2.05754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydro-7,8-dimethyl-1H-1,5-benzodiazepin-2(3H)-one. With a topological polar surface area (TPSA) of 41.13 Ų, 4,5-Dihydro-7,8-dimethyl-1H-1,5-benzodiazepin-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dihydro-7,8-dimethyl-1H-1,5-benzodiazepin-2(3H)-one has 2 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 4,5-Dihydro-7,8-dimethyl-1H-1,5-benzodiazepin-2(3H)-one?
The CAS number of 4,5-Dihydro-7,8-dimethyl-1H-1,5-benzodiazepin-2(3H)-one is 36332-52-2.
What is the molecular formula of 4,5-Dihydro-7,8-dimethyl-1H-1,5-benzodiazepin-2(3H)-one?
The molecular formula of 4,5-Dihydro-7,8-dimethyl-1H-1,5-benzodiazepin-2(3H)-one is C11H14N2O.
What is the molecular weight of 4,5-Dihydro-7,8-dimethyl-1H-1,5-benzodiazepin-2(3H)-one?
The molecular weight of 4,5-Dihydro-7,8-dimethyl-1H-1,5-benzodiazepin-2(3H)-one is 190.11 g/mol.
Where can I buy 4,5-Dihydro-7,8-dimethyl-1H-1,5-benzodiazepin-2(3H)-one?
You can request a quote for 4,5-Dihydro-7,8-dimethyl-1H-1,5-benzodiazepin-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydro-7,8-dimethyl-1H-1,5-benzodiazepin-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydro-7,8-dimethyl-1H-1,5-benzodiazepin-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.