1-Butyne, 4,4-dimethoxy-
TL;DR: 1-Butyne, 4,4-dimethoxy- (CAS 33639-45-1) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethoxybut-1-yne
Also Known As: 4,4-Dimethoxybut-1-yne, 1-Butyne, 4,4-dimethoxy-, 3-butynal dimethyl acetal, 4,4-Dimethoxy-1-butyne, 4,4-Dimethoxy-1-butyne #
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 33639-45-1 |
|---|---|
| SMILES | COC(CC#C)OC |
| InChIKey | GOMUIECMAFYRJQ-UHFFFAOYSA-N |
Product Overview
1-Butyne, 4,4-dimethoxy- (CAS 33639-45-1), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: 4,4-dimethoxybut-1-yne.
Chemical Property Profile of 1-Butyne, 4,4-dimethoxy-
Property Insights of 1-Butyne, 4,4-dimethoxy-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyne, 4,4-dimethoxy-. With a topological polar surface area (TPSA) of 18.5 Ų, 1-Butyne, 4,4-dimethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyne, 4,4-dimethoxy- has 0 hydrogen bond donor(s) and 2 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-Butyne, 4,4-dimethoxy-?
The CAS number of 1-Butyne, 4,4-dimethoxy- is 33639-45-1.
What is the molecular formula of 1-Butyne, 4,4-dimethoxy-?
The molecular formula of 1-Butyne, 4,4-dimethoxy- is C6H10O2.
What is the molecular weight of 1-Butyne, 4,4-dimethoxy-?
The molecular weight of 1-Butyne, 4,4-dimethoxy- is 114.07 g/mol.
Where can I buy 1-Butyne, 4,4-dimethoxy-?
You can request a quote for 1-Butyne, 4,4-dimethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyne, 4,4-dimethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyne, 4,4-dimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.