![4-methyl[1,4]diazepino[3,2,1-hi]indazol-2(1H)-one structure](/static/products/1126/112698-24-5.webp)
4-methyl[1,4]diazepino[3,2,1-hi]indazol-2(1H)-one
TL;DR: 4-methyl[1,4]diazepino[3,2,1-hi]indazol-2(1H)-one (CAS 112698-24-5) is a chemical compound with molecular formula C11H9N3O and molecular weight 199.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-methyl-1,2,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,11-pentaen-10-one
Also Known As: 4-methyl[1,4]diazepino[3,2,1-hi]indazol-2(1H)-one, 3W-0885, 12-Methyl-1,2,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,11-pentaen-10-one, methyl-4 dihydro-3,7 pyrazolo[1,5,4-ef]benzodiazepine-1,5 one-6, 12-methyl-1,2,9-triazatricyclo[6.4.1.0^{4,13}]trideca-2,4,6,8(13),11-pentaen-10-one
| Molecular Formula | C11H9N3O |
|---|---|
| Molecular Weight | 199.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 46.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.07455 |
| Heavy Atoms | 15 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 112698-24-5 |
|---|---|
| SMILES | CC1=CC(=O)NC2=CC=CC3=C2N1N=C3 |
| InChIKey | IXHIWIBFUWTQSZ-UHFFFAOYSA-N |
Product Overview
4-methyl[1,4]diazepino[3,2,1-hi]indazol-2(1H)-one (CAS 112698-24-5), with molecular formula C11H9N3O and molecular weight 199.07 g/mol. IUPAC: 12-methyl-1,2,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,11-pentaen-10-one.
Chemical Property Profile of 4-methyl[1,4]diazepino[3,2,1-hi]indazol-2(1H)-one
Property Insights of 4-methyl[1,4]diazepino[3,2,1-hi]indazol-2(1H)-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl[1,4]diazepino[3,2,1-hi]indazol-2(1H)-one. With a topological polar surface area (TPSA) of 46.9 Ų, 4-methyl[1,4]diazepino[3,2,1-hi]indazol-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl[1,4]diazepino[3,2,1-hi]indazol-2(1H)-one has 1 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-methyl[1,4]diazepino[3,2,1-hi]indazol-2(1H)-one?
The CAS number of 4-methyl[1,4]diazepino[3,2,1-hi]indazol-2(1H)-one is 112698-24-5.
What is the molecular formula of 4-methyl[1,4]diazepino[3,2,1-hi]indazol-2(1H)-one?
The molecular formula of 4-methyl[1,4]diazepino[3,2,1-hi]indazol-2(1H)-one is C11H9N3O.
What is the molecular weight of 4-methyl[1,4]diazepino[3,2,1-hi]indazol-2(1H)-one?
The molecular weight of 4-methyl[1,4]diazepino[3,2,1-hi]indazol-2(1H)-one is 199.07 g/mol.
Where can I buy 4-methyl[1,4]diazepino[3,2,1-hi]indazol-2(1H)-one?
You can request a quote for 4-methyl[1,4]diazepino[3,2,1-hi]indazol-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl[1,4]diazepino[3,2,1-hi]indazol-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl[1,4]diazepino[3,2,1-hi]indazol-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.