3-氯丙基辛基亚砜
TL;DR: 3-氯丙基辛基亚砜 (CAS 3569-57-1) is a chemical compound with molecular formula C11H23ClOS and molecular weight 238.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯丙基辛基亚砜
1-(3-chloropropylsulfinyl)octane
Also Known As: Repellent 1207, 3-Chloropropyl octyl sulfoxide, MGK repellent 1,207, 1-(3-chloropropylsulfinyl)octane, Sulfoxide, 3-chloropropyl octyl
| Molecular Formula | C11H23ClOS |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 238.11581 |
| Heavy Atoms | 14 |
| Complexity | 139.0 |
| Boiling Point | 338 °C @760 [mm Hg] |
| Vapor Pressure | 0.00002 [mm Hg] @25 °C |
Chemical Identifiers
| CAS Number | 3569-57-1 |
|---|---|
| SMILES | CCCCCCCCS(=O)CCCCl |
| InChIKey | WQZLBRKHBCTDOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯丙基辛基亚砜 (CAS 3569-57-1), with molecular formula C11H23ClOS and molecular weight 238.12 g/mol. IUPAC: 1-(3-chloropropylsulfinyl)octane.
Chemical Property Profile of 3-氯丙基辛基亚砜
Property Insights of 3-氯丙基辛基亚砜
The XLogP value of 3.6 indicates that 3-氯丙基辛基亚砜 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.3 Ų, 3-氯丙基辛基亚砜 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯丙基辛基亚砜 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 3-氯丙基辛基亚砜?
The CAS number of 3-氯丙基辛基亚砜 is 3569-57-1.
What is the molecular formula of 3-氯丙基辛基亚砜?
The molecular formula of 3-氯丙基辛基亚砜 is C11H23ClOS.
What is the molecular weight of 3-氯丙基辛基亚砜?
The molecular weight of 3-氯丙基辛基亚砜 is 238.12 g/mol.
Where can I buy 3-氯丙基辛基亚砜?
You can request a quote for 3-氯丙基辛基亚砜 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯丙基辛基亚砜?
Yes, KEHONG BIO provides custom synthesis services for 3-氯丙基辛基亚砜 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.