(2S)-丁-2-基甲磺酸酯
TL;DR: (2S)-丁-2-基甲磺酸酯 (CAS 50599-13-8) 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.
(2S)-丁-2-基甲磺酸酯
[(2S)-butan-2-yl] methanesulfonate
Also Known As: (+)-S-2-Butyl mesylate, (S)-2-Butyl methanesulfonate, (2S)-BUTAN-2-YL METHANESULFONATE, [(2S)-butan-2-yl] methanesulfonate, S-(+)-2-butanol methanesulfonate
| Molecular Formula | C5H12O3S |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.05072 |
| Heavy Atoms | 9 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 50599-13-8 |
|---|---|
| SMILES | CC[C@H](C)OS(=O)(=O)C |
| InChIKey | BQWQGEBNCNNFCI-YFKPBYRVSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2S)-丁-2-基甲磺酸酯 (CAS 50599-13-8), with molecular formula C5H12O3S and molecular weight 152.05 g/mol. IUPAC: [(2S)-butan-2-yl] methanesulfonate.
Chemical Property Profile of (2S)-丁-2-基甲磺酸酯
Property Insights of (2S)-丁-2-基甲磺酸酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-丁-2-基甲磺酸酯. With a topological polar surface area (TPSA) of 51.8 Ų, (2S)-丁-2-基甲磺酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-丁-2-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 (2S)-丁-2-基甲磺酸酯?
The CAS number of (2S)-丁-2-基甲磺酸酯 is 50599-13-8.
What is the molecular formula of (2S)-丁-2-基甲磺酸酯?
The molecular formula of (2S)-丁-2-基甲磺酸酯 is C5H12O3S.
What is the molecular weight of (2S)-丁-2-基甲磺酸酯?
The molecular weight of (2S)-丁-2-基甲磺酸酯 is 152.05 g/mol.
Where can I buy (2S)-丁-2-基甲磺酸酯?
You can request a quote for (2S)-丁-2-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 (2S)-丁-2-基甲磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for (2S)-丁-2-基甲磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.