RefChem:564447
TL;DR: RefChem:564447 (CAS 63217-34-5) is a chemical compound with molecular formula C27H44N2O4S and molecular weight 492.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-3-methylbenzenesulfonic acid
Also Known As: 4-[-1-yl]-3-methylbenzenesulfonicacid, 4-[ -1-yl]-3-methylbenzenesulfonicacid, Benzenesulfonic acid, 4-(3-heptadecyl-4,5-dihydro-5-oxo-1H-pyrazol-1-yl)-3-methyl-, 4-(3-heptadecyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)-3-methylbenzenesulfonic acid, Benzenesulfonic acid, 3-methyl-4-(3-heptadecyl-4,5-dihydro-5-oxo-1H-pyrazol-1-yl)-
| Molecular Formula | C27H44N2O4S |
|---|---|
| Molecular Weight | 492.30 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 492.3022 |
| Heavy Atoms | 34 |
| Complexity | 717.0 |
Chemical Identifiers
| CAS Number | 63217-34-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=C(C=C(C=C2)S(=O)(=O)O)C |
| InChIKey | IJPINFRYORWJOE-UHFFFAOYSA-N |
Product Overview
RefChem:564447 (CAS 63217-34-5), with molecular formula C27H44N2O4S and molecular weight 492.30 g/mol. IUPAC: 4-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-3-methylbenzenesulfonic acid.
Chemical Property Profile of RefChem:564447
Property Insights of RefChem:564447
The XLogP value of 8.8 indicates that RefChem:564447 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:564447. Following Lipinski's Rule of Five, RefChem:564447 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:564447?
The CAS number of RefChem:564447 is 63217-34-5.
What is the molecular formula of RefChem:564447?
The molecular formula of RefChem:564447 is C27H44N2O4S.
What is the molecular weight of RefChem:564447?
The molecular weight of RefChem:564447 is 492.30 g/mol.
Where can I buy RefChem:564447?
You can request a quote for RefChem:564447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:564447?
Yes, KEHONG BIO provides custom synthesis services for RefChem:564447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.