![7-Chloro-3-methyl-1-phenylpyrazolo[3,4-b][1,5]benzoxazepine structure](/static/products/6817/68177-34-4.webp)
7-Chloro-3-methyl-1-phenylpyrazolo[3,4-b][1,5]benzoxazepine
TL;DR: 7-Chloro-3-methyl-1-phenylpyrazolo[3,4-b][1,5]benzoxazepine (CAS 68177-34-4) is a chemical compound with molecular formula C17H12ClN3O and molecular weight 309.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-methyl-1-phenylpyrazolo[5,4-b][1,5]benzoxazepine
Also Known As: 7-chloro-3-methyl-1-phenylpyrazolo[3,4-b][1,5]benzoxazepine, J1.458.413G, 7-Chloro-1-methyl-3-phenyl-3H-2,3,9-triaza-4-oxabenzo[f]azulene, 12-chloro-6-methyl-4-phenyl-2-oxa-4,5,9-triazatricyclo[8.4.0.0(3),?]tetradeca-1(10),3(7),5,8,11,13-hexaene, 1H-Pyrazolo[3,4-b][1,5]benzoxazepine, 7-chloro-3-methyl-1-phenyl-
| Molecular Formula | C17H12ClN3O |
|---|---|
| Molecular Weight | 309.07 g/mol |
| LogP | 4.69042 |
| Topological Polar Surface Area | 39.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 309.0669 |
| Heavy Atoms | 22 |
| Complexity | 884.41974 |
Chemical Identifiers
| CAS Number | 68177-34-4 |
|---|---|
| SMILES | CC1=NN(C2=C1C=NC3=C(O2)C=CC(=C3)Cl)C4=CC=CC=C4 |
Product Overview
7-Chloro-3-methyl-1-phenylpyrazolo[3,4-b][1,5]benzoxazepine (CAS 68177-34-4), with molecular formula C17H12ClN3O and molecular weight 309.07 g/mol. IUPAC: 7-chloro-3-methyl-1-phenylpyrazolo[5,4-b][1,5]benzoxazepine.
Chemical Property Profile of 7-Chloro-3-methyl-1-phenylpyrazolo[3,4-b][1,5]benzoxazepine
Property Insights of 7-Chloro-3-methyl-1-phenylpyrazolo[3,4-b][1,5]benzoxazepine
The XLogP value of 4.69042 indicates that 7-Chloro-3-methyl-1-phenylpyrazolo[3,4-b][1,5]benzoxazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.41 Ų, 7-Chloro-3-methyl-1-phenylpyrazolo[3,4-b][1,5]benzoxazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-3-methyl-1-phenylpyrazolo[3,4-b][1,5]benzoxazepine has 0 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 7-Chloro-3-methyl-1-phenylpyrazolo[3,4-b][1,5]benzoxazepine?
The CAS number of 7-Chloro-3-methyl-1-phenylpyrazolo[3,4-b][1,5]benzoxazepine is 68177-34-4.
What is the molecular formula of 7-Chloro-3-methyl-1-phenylpyrazolo[3,4-b][1,5]benzoxazepine?
The molecular formula of 7-Chloro-3-methyl-1-phenylpyrazolo[3,4-b][1,5]benzoxazepine is C17H12ClN3O.
What is the molecular weight of 7-Chloro-3-methyl-1-phenylpyrazolo[3,4-b][1,5]benzoxazepine?
The molecular weight of 7-Chloro-3-methyl-1-phenylpyrazolo[3,4-b][1,5]benzoxazepine is 309.07 g/mol.
Where can I buy 7-Chloro-3-methyl-1-phenylpyrazolo[3,4-b][1,5]benzoxazepine?
You can request a quote for 7-Chloro-3-methyl-1-phenylpyrazolo[3,4-b][1,5]benzoxazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-3-methyl-1-phenylpyrazolo[3,4-b][1,5]benzoxazepine?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3-methyl-1-phenylpyrazolo[3,4-b][1,5]benzoxazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.