2-氯辛酰氯
TL;DR: 2-氯辛酰氯 (CAS 64781-13-1) is a chemical compound with molecular formula C8H14Cl2O and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯辛酰氯
2-chlorooctanoyl chloride
Also Known As: 2-Chlorooctanoyl chloride, Octanoyl chloride, 2-chloro-, 2-Chlorooctanoic acid chloride, RefChem:167826
| Molecular Formula | C8H14Cl2O |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 196.04218 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 64781-13-1 |
|---|---|
| SMILES | CCCCCCC(C(=O)Cl)Cl |
| InChIKey | GTQMRKYASBKZSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯辛酰氯 (CAS 64781-13-1), with molecular formula C8H14Cl2O and molecular weight 196.04 g/mol. IUPAC: 2-chlorooctanoyl chloride.
Chemical Property Profile of 2-氯辛酰氯
Property Insights of 2-氯辛酰氯
The XLogP value of 4.3 indicates that 2-氯辛酰氯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-氯辛酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯辛酰氯 has 0 hydrogen bond donor(s) and 1 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 2-氯辛酰氯?
The CAS number of 2-氯辛酰氯 is 64781-13-1.
What is the molecular formula of 2-氯辛酰氯?
The molecular formula of 2-氯辛酰氯 is C8H14Cl2O.
What is the molecular weight of 2-氯辛酰氯?
The molecular weight of 2-氯辛酰氯 is 196.04 g/mol.
Where can I buy 2-氯辛酰氯?
You can request a quote for 2-氯辛酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯辛酰氯?
Yes, KEHONG BIO provides custom synthesis services for 2-氯辛酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.