对甲苯磺酸-2-丙炔酯
TL;DR: 对甲苯磺酸-2-丙炔酯 (CAS 6165-76-0) is a chemical compound with molecular formula C10H10O3S and molecular weight 210.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对甲苯磺酸-2-丙炔酯
prop-2-ynyl 4-methylbenzenesulfonate
Also Known As: Propargyl p-toluenesulfonate, Propargyl Tosylate, null, Prop-2-yn-1-yl 4-methylbenzenesulfonate, prop-2-ynyl 4-methylbenzenesulfonate
| Molecular Formula | C10H10O3S |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.03506 |
| Heavy Atoms | 14 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 6165-76-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC#C |
| InChIKey | LMBVCSFXFFROTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对甲苯磺酸-2-丙炔酯 (CAS 6165-76-0), with molecular formula C10H10O3S and molecular weight 210.04 g/mol. IUPAC: prop-2-ynyl 4-methylbenzenesulfonate.
Chemical Property Profile of 对甲苯磺酸-2-丙炔酯
Property Insights of 对甲苯磺酸-2-丙炔酯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对甲苯磺酸-2-丙炔酯. With a topological polar surface area (TPSA) of 51.8 Ų, 对甲苯磺酸-2-丙炔酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对甲苯磺酸-2-丙炔酯 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 对甲苯磺酸-2-丙炔酯?
The CAS number of 对甲苯磺酸-2-丙炔酯 is 6165-76-0.
What is the molecular formula of 对甲苯磺酸-2-丙炔酯?
The molecular formula of 对甲苯磺酸-2-丙炔酯 is C10H10O3S.
What is the molecular weight of 对甲苯磺酸-2-丙炔酯?
The molecular weight of 对甲苯磺酸-2-丙炔酯 is 210.04 g/mol.
Where can I buy 对甲苯磺酸-2-丙炔酯?
You can request a quote for 对甲苯磺酸-2-丙炔酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对甲苯磺酸-2-丙炔酯?
Yes, KEHONG BIO provides custom synthesis services for 对甲苯磺酸-2-丙炔酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.