1,3-Pentadiyne
TL;DR: 1,3-Pentadiyne (CAS 4911-55-1) is a chemical compound with molecular formula C5H4 and molecular weight 64.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
penta-1,3-diyne
Also Known As: 1,3-Pentadiyne, penta-1,3-diyne, methyldiacetylene, methyl diacetylene, CH3C.equiv.CC.equiv.CH
| Molecular Formula | C5H4 |
|---|---|
| Molecular Weight | 64.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 64.0313 |
| Heavy Atoms | 5 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 4911-55-1 |
|---|---|
| SMILES | CC#CC#C |
| InChIKey | VNMDYSSJFJFEQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Pentadiyne (CAS 4911-55-1), with molecular formula C5H4 and molecular weight 64.03 g/mol. IUPAC: penta-1,3-diyne.
Chemical Property Profile of 1,3-Pentadiyne
Property Insights of 1,3-Pentadiyne
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Pentadiyne. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Pentadiyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 1,3-Pentadiyne?
The CAS number of 1,3-Pentadiyne is 4911-55-1.
What is the molecular formula of 1,3-Pentadiyne?
The molecular formula of 1,3-Pentadiyne is C5H4.
What is the molecular weight of 1,3-Pentadiyne?
The molecular weight of 1,3-Pentadiyne is 64.03 g/mol.
Where can I buy 1,3-Pentadiyne?
You can request a quote for 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 1,3-Pentadiyne?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Pentadiyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.