RefChem:349079
TL;DR: RefChem:349079 (CAS 80446-87-3) is a chemical compound with molecular formula C21H31N3O and molecular weight 341.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-4-[3-(dimethylamino)propyl]-1-ethylindeno[2,1-d]pyrazol-4-ol
Also Known As: 3-tert-butyl-4-[3-(dimethylamino)propyl]-1-ethyl-1,4-dihydroindeno[1,2-c]pyrazol-4-ol, Indeno(1,2-c)pyrazol-4-ol, 1,4-dihydro-3-tert-butyl-4-(3-(dimethylamino)propyl)-1-ethyl-, 3-tert-Butyl-4-(3-(dimethylamino)propyl)-1-ethyl-1,4-dihydroindeno(1,2-c)pyrazol-4-ol, 3-(tert-Butyl)-4-(3-(dimethylamino)propyl)-1-ethyl-1,4-dihydroindeno[1,2-c]pyrazol-4-ol, 3-tert-butyl-4-[3-(dimethylamino)propyl]-1-ethylindeno[1,2-c]pyrazol-4-ol
| Molecular Formula | C21H31N3O |
|---|---|
| Molecular Weight | 341.25 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.2467 |
| Heavy Atoms | 25 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 80446-87-3 |
|---|---|
| SMILES | CCN1C2=C(C(=N1)C(C)(C)C)C(C3=CC=CC=C32)(CCCN(C)C)O |
| InChIKey | UZOJZYCTKHTMHG-UHFFFAOYSA-N |
Product Overview
RefChem:349079 (CAS 80446-87-3), with molecular formula C21H31N3O and molecular weight 341.25 g/mol. IUPAC: 3-tert-butyl-4-[3-(dimethylamino)propyl]-1-ethylindeno[2,1-d]pyrazol-4-ol.
Chemical Property Profile of RefChem:349079
Property Insights of RefChem:349079
The XLogP value of 3.4 indicates that RefChem:349079 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.3 Ų, RefChem:349079 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349079 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 RefChem:349079?
The CAS number of RefChem:349079 is 80446-87-3.
What is the molecular formula of RefChem:349079?
The molecular formula of RefChem:349079 is C21H31N3O.
What is the molecular weight of RefChem:349079?
The molecular weight of RefChem:349079 is 341.25 g/mol.
Where can I buy RefChem:349079?
You can request a quote for RefChem:349079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349079?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.