1-Cyclopropylpenta-1,3-diyne
TL;DR: 1-Cyclopropylpenta-1,3-diyne (CAS 116316-76-8) is a chemical compound with molecular formula C8H8 and molecular weight 104.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
penta-1,3-diynylcyclopropane
Also Known As: 1-Cyclopropylpenta-1,3-diyne, penta-1,3-diynylcyclopropane, 1-cyclopropylpentadiine-1,3, 1-Cyclopropyl-1,3-pentadiyne, Cyclopropane,1,3-pentadiyn-1-yl-
| Molecular Formula | C8H8 |
|---|---|
| Molecular Weight | 104.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 104.0626 |
| Heavy Atoms | 8 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 116316-76-8 |
|---|---|
| SMILES | CC#CC#CC1CC1 |
| InChIKey | ZEKLXAZDDKNQBK-UHFFFAOYSA-N |
Product Overview
1-Cyclopropylpenta-1,3-diyne (CAS 116316-76-8), with molecular formula C8H8 and molecular weight 104.06 g/mol. IUPAC: penta-1,3-diynylcyclopropane.
Chemical Property Profile of 1-Cyclopropylpenta-1,3-diyne
Property Insights of 1-Cyclopropylpenta-1,3-diyne
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclopropylpenta-1,3-diyne. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Cyclopropylpenta-1,3-diyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclopropylpenta-1,3-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 1-Cyclopropylpenta-1,3-diyne?
The CAS number of 1-Cyclopropylpenta-1,3-diyne is 116316-76-8.
What is the molecular formula of 1-Cyclopropylpenta-1,3-diyne?
The molecular formula of 1-Cyclopropylpenta-1,3-diyne is C8H8.
What is the molecular weight of 1-Cyclopropylpenta-1,3-diyne?
The molecular weight of 1-Cyclopropylpenta-1,3-diyne is 104.06 g/mol.
Where can I buy 1-Cyclopropylpenta-1,3-diyne?
You can request a quote for 1-Cyclopropylpenta-1,3-diyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclopropylpenta-1,3-diyne?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclopropylpenta-1,3-diyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.