12-Chlorododeca-1,7-diyne
TL;DR: 12-Chlorododeca-1,7-diyne (CAS 39590-64-2) is a chemical compound with molecular formula C12H17Cl and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-chlorododeca-1,7-diyne
Also Known As: 12-chlorododeca-1,7-diyne, 12-chloro-dodeca-1,7-diyne, RefChem:236384
| Molecular Formula | C12H17Cl |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 196.10188 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 39590-64-2 |
|---|---|
| SMILES | C#CCCCCC#CCCCCCl |
| InChIKey | IOKAYOKLCHXEIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
12-Chlorododeca-1,7-diyne (CAS 39590-64-2), with molecular formula C12H17Cl and molecular weight 196.10 g/mol. IUPAC: 12-chlorododeca-1,7-diyne.
Chemical Property Profile of 12-Chlorododeca-1,7-diyne
Property Insights of 12-Chlorododeca-1,7-diyne
The XLogP value of 4.2 indicates that 12-Chlorododeca-1,7-diyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 12-Chlorododeca-1,7-diyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Chlorododeca-1,7-diyne 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 12-Chlorododeca-1,7-diyne?
The CAS number of 12-Chlorododeca-1,7-diyne is 39590-64-2.
What is the molecular formula of 12-Chlorododeca-1,7-diyne?
The molecular formula of 12-Chlorododeca-1,7-diyne is C12H17Cl.
What is the molecular weight of 12-Chlorododeca-1,7-diyne?
The molecular weight of 12-Chlorododeca-1,7-diyne is 196.10 g/mol.
Where can I buy 12-Chlorododeca-1,7-diyne?
You can request a quote for 12-Chlorododeca-1,7-diyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Chlorododeca-1,7-diyne?
Yes, KEHONG BIO provides custom synthesis services for 12-Chlorododeca-1,7-diyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.