4-甲氧基苯丙炔酸
TL;DR: 4-甲氧基苯丙炔酸 (CAS 2227-57-8) is a chemical compound with molecular formula C10H13ClO2S and molecular weight 232.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲氧基苯丙炔酸
1-(3-chloropropylsulfonyl)-4-methylbenzene
Also Known As: 3-chloropropyl p-tolyl sulfone, 1-(3-chloropropylsulfonyl)-4-methylbenzene, 3-chloropropyl 4-methylphenyl sulfone, 3-(4-methylphenyl)sulfonyl-1-chloropropane, 1-((3-Chloropropyl)sulfonyl)-4-methylbenzene
| Molecular Formula | C10H13ClO2S |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.03249 |
| Heavy Atoms | 14 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 2227-57-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CCCCl |
| InChIKey | BCAIESQCUZLERY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲氧基苯丙炔酸 (CAS 2227-57-8), with molecular formula C10H13ClO2S and molecular weight 232.03 g/mol. IUPAC: 1-(3-chloropropylsulfonyl)-4-methylbenzene.
Chemical Property Profile of 4-甲氧基苯丙炔酸
Property Insights of 4-甲氧基苯丙炔酸
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲氧基苯丙炔酸. With a topological polar surface area (TPSA) of 42.5 Ų, 4-甲氧基苯丙炔酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲氧基苯丙炔酸 has 0 hydrogen bond donor(s) and 2 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 4-甲氧基苯丙炔酸?
The CAS number of 4-甲氧基苯丙炔酸 is 2227-57-8.
What is the molecular formula of 4-甲氧基苯丙炔酸?
The molecular formula of 4-甲氧基苯丙炔酸 is C10H13ClO2S.
What is the molecular weight of 4-甲氧基苯丙炔酸?
The molecular weight of 4-甲氧基苯丙炔酸 is 232.03 g/mol.
Where can I buy 4-甲氧基苯丙炔酸?
You can request a quote for 4-甲氧基苯丙炔酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲氧基苯丙炔酸?
Yes, KEHONG BIO provides custom synthesis services for 4-甲氧基苯丙炔酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.