2-Phenyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one
TL;DR: 2-Phenyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one (CAS 30909-95-6) is a chemical compound with molecular formula C14H11N3O and molecular weight 237.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-3,4-dihydro-1,3,4-benzotriazepin-5-one
Also Known As: 2-phenyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one, 2-phenyl-3,4-dihydro-1,3,4-benzotriazepin-5-one, 2-phenyl-3,4-dihydro-[1,3,4]benzotriazepin-5-one, RefChem:265238
| Molecular Formula | C14H11N3O |
|---|---|
| Molecular Weight | 237.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.09021 |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 30909-95-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)NN2 |
| InChIKey | YNJXCMLTVGLFMW-UHFFFAOYSA-N |
Product Overview
2-Phenyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one (CAS 30909-95-6), with molecular formula C14H11N3O and molecular weight 237.09 g/mol. IUPAC: 2-phenyl-3,4-dihydro-1,3,4-benzotriazepin-5-one.
Chemical Property Profile of 2-Phenyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one
Property Insights of 2-Phenyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one. With a topological polar surface area (TPSA) of 53.5 Ų, 2-Phenyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-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 2-Phenyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one?
The CAS number of 2-Phenyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one is 30909-95-6.
What is the molecular formula of 2-Phenyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one?
The molecular formula of 2-Phenyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one is C14H11N3O.
What is the molecular weight of 2-Phenyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one?
The molecular weight of 2-Phenyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one is 237.09 g/mol.
Where can I buy 2-Phenyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one?
You can request a quote for 2-Phenyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.