(S)-(+)-2-甲基丁基对甲苯磺酸酯
TL;DR: (S)-(+)-2-甲基丁基对甲苯磺酸酯 (CAS 38261-81-3) is a chemical compound with molecular formula C12H18O3S and molecular weight 242.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(S)-(+)-2-甲基丁基对甲苯磺酸酯
[(2S)-2-methylbutyl] 4-methylbenzenesulfonate
Also Known As: p-Toluenesulfonic Acid (S)-2-Methylbutyl Ester, (S)-2-Methylbutyl p-Toluenesulfonate, (S)-2-Methylbutyl 4-methylbenzenesulfonate, Toluenesulfonicacidmethylbutylester, [(2S)-2-methylbutyl] 4-methylbenzenesulfonate
| Molecular Formula | C12H18O3S |
|---|---|
| Molecular Weight | 242.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.09767 |
| Heavy Atoms | 16 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 38261-81-3 |
|---|---|
| SMILES | CC[C@H](C)COS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | HPEVJTNZYIMANV-JTQLQIEISA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(S)-(+)-2-甲基丁基对甲苯磺酸酯 (CAS 38261-81-3), with molecular formula C12H18O3S and molecular weight 242.10 g/mol. IUPAC: [(2S)-2-methylbutyl] 4-methylbenzenesulfonate.
Chemical Property Profile of (S)-(+)-2-甲基丁基对甲苯磺酸酯
Property Insights of (S)-(+)-2-甲基丁基对甲苯磺酸酯
The XLogP value of 3.1 indicates that (S)-(+)-2-甲基丁基对甲苯磺酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, (S)-(+)-2-甲基丁基对甲苯磺酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-(+)-2-甲基丁基对甲苯磺酸酯 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 (S)-(+)-2-甲基丁基对甲苯磺酸酯?
The CAS number of (S)-(+)-2-甲基丁基对甲苯磺酸酯 is 38261-81-3.
What is the molecular formula of (S)-(+)-2-甲基丁基对甲苯磺酸酯?
The molecular formula of (S)-(+)-2-甲基丁基对甲苯磺酸酯 is C12H18O3S.
What is the molecular weight of (S)-(+)-2-甲基丁基对甲苯磺酸酯?
The molecular weight of (S)-(+)-2-甲基丁基对甲苯磺酸酯 is 242.10 g/mol.
Where can I buy (S)-(+)-2-甲基丁基对甲苯磺酸酯?
You can request a quote for (S)-(+)-2-甲基丁基对甲苯磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-(+)-2-甲基丁基对甲苯磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for (S)-(+)-2-甲基丁基对甲苯磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.