N-Methylisoguvacine
TL;DR: N-Methylisoguvacine (CAS 68946-22-5) is a chemical compound with molecular formula C19H25N3O and molecular weight 311.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-3-methyl-4-(1-methylpiperidin-4-yl)indeno[1,2-c]pyrazol-4-ol
Also Known As: N-Methylisoguvacine, 2-Ethyl-3-methyl-4-(1-methyl-4-piperidyl)-2,4-dihydroindeno(1,2-c)pyrazol-4-ol, Indeno(1,2-c)pyrazol-4-ol, 2,4-dihydro-2-ethyl-3-methyl-4-(1-methyl-4-piperidyl)-, 2,4-Dihydro-2-ethyl-3-methyl-4- indeno[1,2-c]pyrazol-4-ol, 2-ethyl-3-methyl-4-(1-methylpiperidin-4-yl)indeno[1,2-c]pyrazol-4-ol
| Molecular Formula | C19H25N3O |
|---|---|
| Molecular Weight | 311.20 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.19977 |
| Heavy Atoms | 23 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 68946-22-5 |
|---|---|
| SMILES | CCN1C(=C2C(=N1)C3=CC=CC=C3C2(C4CCN(CC4)C)O)C |
| InChIKey | LKRUIVOGRUCNGJ-UHFFFAOYSA-N |
Product Overview
N-Methylisoguvacine (CAS 68946-22-5), with molecular formula C19H25N3O and molecular weight 311.20 g/mol. IUPAC: 2-ethyl-3-methyl-4-(1-methylpiperidin-4-yl)indeno[1,2-c]pyrazol-4-ol.
Chemical Property Profile of N-Methylisoguvacine
Property Insights of N-Methylisoguvacine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methylisoguvacine. With a topological polar surface area (TPSA) of 41.3 Ų, N-Methylisoguvacine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methylisoguvacine 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 N-Methylisoguvacine?
The CAS number of N-Methylisoguvacine is 68946-22-5.
What is the molecular formula of N-Methylisoguvacine?
The molecular formula of N-Methylisoguvacine is C19H25N3O.
What is the molecular weight of N-Methylisoguvacine?
The molecular weight of N-Methylisoguvacine is 311.20 g/mol.
Where can I buy N-Methylisoguvacine?
You can request a quote for N-Methylisoguvacine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylisoguvacine?
Yes, KEHONG BIO provides custom synthesis services for N-Methylisoguvacine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.