5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl-
TL;DR: 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl- (CAS 59169-76-5) is a chemical compound with molecular formula C9H9N3O and molecular weight 175.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3H-1,3,4-benzotriazepin-5-one
Also Known As: 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl-, 4-methyl-3H-1,3,4-benzotriazepin-5-one, 1,4-Dihydro-4-methyl-5H-1,2,4-benzotriazepin-5-one, J1.845.779B, 4-Methyl-3H-1,3,4-benzotriazepine-5(4H)-one
| Molecular Formula | C9H9N3O |
|---|---|
| Molecular Weight | 175.07 g/mol |
| LogP | 0.9366 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.07455 |
| Heavy Atoms | 13 |
| Complexity | 372.8775 |
Chemical Identifiers
| CAS Number | 59169-76-5 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2N=CN1 |
Product Overview
5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl- (CAS 59169-76-5), with molecular formula C9H9N3O and molecular weight 175.07 g/mol. IUPAC: 4-methyl-3H-1,3,4-benzotriazepin-5-one.
Chemical Property Profile of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl-
Property Insights of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl-
The XLogP value of 0.9366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl-. With a topological polar surface area (TPSA) of 44.7 Ų, 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl- has 1 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 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl-?
The CAS number of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl- is 59169-76-5.
What is the molecular formula of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl-?
The molecular formula of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl- is C9H9N3O.
What is the molecular weight of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl-?
The molecular weight of 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl- is 175.07 g/mol.
Where can I buy 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl-?
You can request a quote for 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 5H-1,2,4-Benzotriazepin-5-one, 1,4-dihydro-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.