丁基甲磺酸酯
TL;DR: 丁基甲磺酸酯 (CAS 1912-32-9) is a chemical compound with molecular formula C5H12O3S and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁基甲磺酸酯
butyl methanesulfonate
Also Known As: Butyl methanesulfonate, Butyl mesylate, n-Butyl methanesulphonate, n-Butyl methanesulfonate, Butyl methanesulphonate
| Molecular Formula | C5H12O3S |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 152.05072 |
| Heavy Atoms | 9 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 1912-32-9 |
|---|---|
| SMILES | CCCCOS(=O)(=O)C |
| InChIKey | LFLBHTZRLVHUQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁基甲磺酸酯 (CAS 1912-32-9), with molecular formula C5H12O3S and molecular weight 152.05 g/mol. IUPAC: butyl methanesulfonate.
Chemical Property Profile of 丁基甲磺酸酯
Property Insights of 丁基甲磺酸酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁基甲磺酸酯. With a topological polar surface area (TPSA) of 51.8 Ų, 丁基甲磺酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁基甲磺酸酯 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 丁基甲磺酸酯?
The CAS number of 丁基甲磺酸酯 is 1912-32-9.
What is the molecular formula of 丁基甲磺酸酯?
The molecular formula of 丁基甲磺酸酯 is C5H12O3S.
What is the molecular weight of 丁基甲磺酸酯?
The molecular weight of 丁基甲磺酸酯 is 152.05 g/mol.
Where can I buy 丁基甲磺酸酯?
You can request a quote for 丁基甲磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁基甲磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 丁基甲磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.