丙二酸单异丙酯
TL;DR: 丙二酸单异丙酯 (CAS 63546-88-3) is a chemical compound with molecular formula C22H23ClN2O and molecular weight 366.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙二酸单异丙酯
3-tert-butyl-4-(4-chlorophenyl)-1-ethylindeno[2,1-d]pyrazol-4-ol
Also Known As: Malonsaeuremonoisopropylester, 5-23-12-00557 (Beilstein Handbook Reference), 3-tert-butyl-4-(4-chlorophenyl)-1-ethyl-1,4-dihydroindeno[1,2-c]pyrazol-4-ol, 1,4-Dihydro-4-(4-chlorophenyl)-3-(1,1-dimethylethyl)-1-ethyl-indeno(1,2-c)pyrazol-4-ol, 3-tert-butyl-4-(4-chlorophenyl)-1-ethylindeno[1,2-c]pyrazol-4-ol
| Molecular Formula | C22H23ClN2O |
|---|---|
| Molecular Weight | 366.15 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.1499 |
| Heavy Atoms | 26 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 63546-88-3 |
|---|---|
| SMILES | CCN1C2=C(C(=N1)C(C)(C)C)C(C3=CC=CC=C32)(C4=CC=C(C=C4)Cl)O |
| InChIKey | UGPWZFYCCSIYOT-UHFFFAOYSA-N |
Product Overview
丙二酸单异丙酯 (CAS 63546-88-3), with molecular formula C22H23ClN2O and molecular weight 366.15 g/mol. IUPAC: 3-tert-butyl-4-(4-chlorophenyl)-1-ethylindeno[2,1-d]pyrazol-4-ol.
Chemical Property Profile of 丙二酸单异丙酯
Property Insights of 丙二酸单异丙酯
The XLogP value of 4.9 indicates that 丙二酸单异丙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.1 Ų, 丙二酸单异丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙二酸单异丙酯 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 丙二酸单异丙酯?
The CAS number of 丙二酸单异丙酯 is 63546-88-3.
What is the molecular formula of 丙二酸单异丙酯?
The molecular formula of 丙二酸单异丙酯 is C22H23ClN2O.
What is the molecular weight of 丙二酸单异丙酯?
The molecular weight of 丙二酸单异丙酯 is 366.15 g/mol.
Where can I buy 丙二酸单异丙酯?
You can request a quote for 丙二酸单异丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙二酸单异丙酯?
Yes, KEHONG BIO provides custom synthesis services for 丙二酸单异丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.