12-Chloro-5-dodecyne
TL;DR: 12-Chloro-5-dodecyne (CAS 42513-36-0) is a chemical compound with molecular formula CCCCC#CCCCCCCCl and molecular weight 200.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-chlorododec-5-yne
Also Known As: 12-Chloro-5-dodecyne, 12-Chlorododec-5-yne, 5-Dodecyne, 12-chloro-, 1-Chloro-7-dodecyne, 1-Chlorododec-7-yne
| Molecular Formula | CCCCC#CCCCCCCCl |
|---|---|
| Molecular Weight | 200.13 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 7 |
| Exact Mass | 200.13318 |
| Heavy Atoms | 13 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 42513-36-0 |
|---|---|
| SMILES | CCCCC#CCCCCCCCl |
| InChIKey | DJJGBABLSKSRGV-UHFFFAOYSA-N |
Product Overview
12-Chloro-5-dodecyne (CAS 42513-36-0), with molecular formula CCCCC#CCCCCCCCl and molecular weight 200.13 g/mol. IUPAC: 12-chlorododec-5-yne.
Chemical Property Profile of 12-Chloro-5-dodecyne
Property Insights of 12-Chloro-5-dodecyne
The XLogP value of 5.2 indicates that 12-Chloro-5-dodecyne 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-Chloro-5-dodecyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Chloro-5-dodecyne has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-Chloro-5-dodecyne?
The CAS number of 12-Chloro-5-dodecyne is 42513-36-0.
What is the molecular formula of 12-Chloro-5-dodecyne?
The molecular formula of 12-Chloro-5-dodecyne is CCCCC#CCCCCCCCl.
What is the molecular weight of 12-Chloro-5-dodecyne?
The molecular weight of 12-Chloro-5-dodecyne is 200.13 g/mol.
Where can I buy 12-Chloro-5-dodecyne?
You can request a quote for 12-Chloro-5-dodecyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Chloro-5-dodecyne?
Yes, KEHONG BIO provides custom synthesis services for 12-Chloro-5-dodecyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.