1-甲基乙基1-戊磺酸酯
TL;DR: 1-甲基乙基1-戊磺酸酯 (CAS 91284-47-8) is a chemical compound with molecular formula C8H18O3S and molecular weight 194.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-甲基乙基1-戊磺酸酯
propan-2-yl pentane-1-sulfonate
Also Known As: Isopropyl 1-pentanesulfonate, 1-Methylethyl 1-pentanesulfonate, propan-2-yl pentane-1-sulfonate, NIOSH/SA2999000, 1-Pentanesulfonic acid, isopropyl ester
| Molecular Formula | C8H18O3S |
|---|---|
| Molecular Weight | 194.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.09767 |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 91284-47-8 |
|---|---|
| SMILES | CCCCCS(=O)(=O)OC(C)C |
| InChIKey | SWLZRVUODQCRSY-UHFFFAOYSA-N |
Product Overview
1-甲基乙基1-戊磺酸酯 (CAS 91284-47-8), with molecular formula C8H18O3S and molecular weight 194.10 g/mol. IUPAC: propan-2-yl pentane-1-sulfonate.
Chemical Property Profile of 1-甲基乙基1-戊磺酸酯
Property Insights of 1-甲基乙基1-戊磺酸酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-甲基乙基1-戊磺酸酯. With a topological polar surface area (TPSA) of 51.8 Ų, 1-甲基乙基1-戊磺酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-甲基乙基1-戊磺酸酯 has 0 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 1-甲基乙基1-戊磺酸酯?
The CAS number of 1-甲基乙基1-戊磺酸酯 is 91284-47-8.
What is the molecular formula of 1-甲基乙基1-戊磺酸酯?
The molecular formula of 1-甲基乙基1-戊磺酸酯 is C8H18O3S.
What is the molecular weight of 1-甲基乙基1-戊磺酸酯?
The molecular weight of 1-甲基乙基1-戊磺酸酯 is 194.10 g/mol.
Where can I buy 1-甲基乙基1-戊磺酸酯?
You can request a quote for 1-甲基乙基1-戊磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲基乙基1-戊磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基乙基1-戊磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.