4-Buta-1,3-diynylpyridine
TL;DR: 4-Buta-1,3-diynylpyridine (CAS 176715-52-9) is a chemical compound with molecular formula C9H5N and molecular weight 127.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-buta-1,3-diynylpyridine
Also Known As: 4-buta-1,3-diynylpyridine, 4-(1,3-Butadiynyl)pyridine, 4-(buta-1,3-diynyl)-pyridine, 4-(1,3-Butadiyn-1-yl)pyridine, Pyridine, 4-(1,3-butadiynyl)- (9CI)
| Molecular Formula | C9H5N |
|---|---|
| Molecular Weight | 127.04 g/mol |
| LogP | 1.0663 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.0422 |
| Heavy Atoms | 10 |
| Complexity | 294.98553 |
Chemical Identifiers
| CAS Number | 176715-52-9 |
|---|---|
| SMILES | C#CC#CC1=CC=NC=C1 |
Product Overview
4-Buta-1,3-diynylpyridine (CAS 176715-52-9), with molecular formula C9H5N and molecular weight 127.04 g/mol. IUPAC: 4-buta-1,3-diynylpyridine.
Chemical Property Profile of 4-Buta-1,3-diynylpyridine
Property Insights of 4-Buta-1,3-diynylpyridine
The XLogP value of 1.0663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Buta-1,3-diynylpyridine. With a topological polar surface area (TPSA) of 12.89 Ų, 4-Buta-1,3-diynylpyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Buta-1,3-diynylpyridine has 0 hydrogen bond donor(s) and 1 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 4-Buta-1,3-diynylpyridine?
The CAS number of 4-Buta-1,3-diynylpyridine is 176715-52-9.
What is the molecular formula of 4-Buta-1,3-diynylpyridine?
The molecular formula of 4-Buta-1,3-diynylpyridine is C9H5N.
What is the molecular weight of 4-Buta-1,3-diynylpyridine?
The molecular weight of 4-Buta-1,3-diynylpyridine is 127.04 g/mol.
Where can I buy 4-Buta-1,3-diynylpyridine?
You can request a quote for 4-Buta-1,3-diynylpyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Buta-1,3-diynylpyridine?
Yes, KEHONG BIO provides custom synthesis services for 4-Buta-1,3-diynylpyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.