1-Chloro-1,3-pentadiyne
TL;DR: 1-Chloro-1,3-pentadiyne (CAS 40331-44-0) is a chemical compound with molecular formula C5H3Cl and molecular weight 97.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloropenta-1,3-diyne
Also Known As: 1-Chloro-1,3-pentadiyne, 1-chloropenta-1,3-diyne, CH3C.equiv.CC.equiv.CCl, 1-chloro-penta-1,3-diyne, 1,3-Pentadiyne, 1-chloro-
| Molecular Formula | C5H3Cl |
|---|---|
| Molecular Weight | 97.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 97.992325 |
| Heavy Atoms | 6 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 40331-44-0 |
|---|---|
| SMILES | CC#CC#CCl |
| InChIKey | MDKVPPBXJXLPBO-UHFFFAOYSA-N |
Product Overview
1-Chloro-1,3-pentadiyne (CAS 40331-44-0), with molecular formula C5H3Cl and molecular weight 97.99 g/mol. IUPAC: 1-chloropenta-1,3-diyne.
Chemical Property Profile of 1-Chloro-1,3-pentadiyne
Property Insights of 1-Chloro-1,3-pentadiyne
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-1,3-pentadiyne. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-1,3-pentadiyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-1,3-pentadiyne 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-1,3-pentadiyne?
The CAS number of 1-Chloro-1,3-pentadiyne is 40331-44-0.
What is the molecular formula of 1-Chloro-1,3-pentadiyne?
The molecular formula of 1-Chloro-1,3-pentadiyne is C5H3Cl.
What is the molecular weight of 1-Chloro-1,3-pentadiyne?
The molecular weight of 1-Chloro-1,3-pentadiyne is 97.99 g/mol.
Where can I buy 1-Chloro-1,3-pentadiyne?
You can request a quote for 1-Chloro-1,3-pentadiyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-1,3-pentadiyne?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-1,3-pentadiyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.