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3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one
TL;DR: 3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one (CAS 73644-95-8) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2,5-dihydro-1H-3-benzazepin-4-one
Also Known As: 3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one, 2,3-Diphenylpyrazine, 3-methyl-2,5-dihydro-1H-3-benzazepin-4-one, 3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one, 3-METHYL-1,3,4,5-TETRAHYDROBENZO[D]AZEPIN-2-ONE
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 1.2436 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 332.6171 |
Chemical Identifiers
| CAS Number | 73644-95-8 |
|---|---|
| SMILES | CN1CCC2=CC=CC=C2CC1=O |
Product Overview
3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one (CAS 73644-95-8), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 3-methyl-2,5-dihydro-1H-3-benzazepin-4-one.
Chemical Property Profile of 3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one
Property Insights of 3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one
The XLogP value of 1.2436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one. With a topological polar surface area (TPSA) of 20.31 Ų, 3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one has 0 hydrogen bond donor(s) and 1 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 3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one?
The CAS number of 3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one is 73644-95-8.
What is the molecular formula of 3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one?
The molecular formula of 3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one is C11H13NO.
What is the molecular weight of 3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one?
The molecular weight of 3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one is 175.10 g/mol.
Where can I buy 3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one?
You can request a quote for 3-methyl-4,5-dihydro-1H-benzo[d]azepin-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 3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.