1-丁炔
TL;DR: 1-丁炔 (CAS 107-00-6) is a chemical compound with molecular formula C4H6 and molecular weight 54.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-丁炔
but-1-yne
Also Known As: 1-BUTYNE, but-1-yne, Ethylacetylene, Ethyl acetylene, Ethylethyne
| Molecular Formula | C4H6 |
|---|---|
| Molecular Weight | 54.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 54.04695 |
| Heavy Atoms | 4 |
| Complexity | 35.0 |
Chemical Identifiers
| CAS Number | 107-00-6 |
|---|---|
| SMILES | CCC#C |
| InChIKey | KDKYADYSIPSCCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-丁炔 (CAS 107-00-6), with molecular formula C4H6 and molecular weight 54.05 g/mol. IUPAC: but-1-yne.
Chemical Property Profile of 1-丁炔
Property Insights of 1-丁炔
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-丁炔. With a topological polar surface area (TPSA) of 0.0 Ų, 1-丁炔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-丁炔 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-丁炔?
The CAS number of 1-丁炔 is 107-00-6.
What is the molecular formula of 1-丁炔?
The molecular formula of 1-丁炔 is C4H6.
What is the molecular weight of 1-丁炔?
The molecular weight of 1-丁炔 is 54.05 g/mol.
Where can I buy 1-丁炔?
You can request a quote for 1-丁炔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-丁炔?
Yes, KEHONG BIO provides custom synthesis services for 1-丁炔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.