1-Chloro-4-decyne
TL;DR: 1-Chloro-4-decyne (CAS 26817-65-2) is a chemical compound with molecular formula C10H17Cl and molecular weight 172.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chlorodec-4-yne
Also Known As: 1-Chloro-4-decyne, 1-chlorodec-4-yne, 4-Decyne, 1-chloro-, n-Heptyl 4-hydroxybenzoate, RefChem:75416
| Molecular Formula | C10H17Cl |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.10188 |
| Heavy Atoms | 11 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 26817-65-2 |
|---|---|
| SMILES | CCCCCC#CCCCCl |
| InChIKey | WQROTKWHQIGFTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-4-decyne (CAS 26817-65-2), with molecular formula C10H17Cl and molecular weight 172.10 g/mol. IUPAC: 1-chlorodec-4-yne.
Chemical Property Profile of 1-Chloro-4-decyne
Property Insights of 1-Chloro-4-decyne
The XLogP value of 4.3 indicates that 1-Chloro-4-decyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-4-decyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-decyne has 0 hydrogen bond donor(s) and 0 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 1-Chloro-4-decyne?
The CAS number of 1-Chloro-4-decyne is 26817-65-2.
What is the molecular formula of 1-Chloro-4-decyne?
The molecular formula of 1-Chloro-4-decyne is C10H17Cl.
What is the molecular weight of 1-Chloro-4-decyne?
The molecular weight of 1-Chloro-4-decyne is 172.10 g/mol.
Where can I buy 1-Chloro-4-decyne?
You can request a quote for 1-Chloro-4-decyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-decyne?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-decyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.