3-Butynoic acid, 4-phenyl-
TL;DR: 3-Butynoic acid, 4-phenyl- (CAS 7218-49-7) is a chemical compound with molecular formula C10H8O2 and molecular weight 160.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylbut-3-ynoic acid
Also Known As: 4-phenylbut-3-ynoic acid, 4-Phenyl-3-butynoic acid, 3-Butynoic acid, 4-phenyl-, 4-phenylbut-3-ynoicacid, 868-831-9
| Molecular Formula | C10H8O2 |
|---|---|
| Molecular Weight | 160.05 g/mol |
| LogP | 1.5128 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.05243 |
| Heavy Atoms | 12 |
| Complexity | 316.68698 |
Chemical Identifiers
| CAS Number | 7218-49-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CCC(=O)O |
Product Overview
3-Butynoic acid, 4-phenyl- (CAS 7218-49-7), with molecular formula C10H8O2 and molecular weight 160.05 g/mol. IUPAC: 4-phenylbut-3-ynoic acid.
Chemical Property Profile of 3-Butynoic acid, 4-phenyl-
Property Insights of 3-Butynoic acid, 4-phenyl-
The XLogP value of 1.5128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butynoic acid, 4-phenyl-. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Butynoic acid, 4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butynoic acid, 4-phenyl- has 1 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 3-Butynoic acid, 4-phenyl-?
The CAS number of 3-Butynoic acid, 4-phenyl- is 7218-49-7.
What is the molecular formula of 3-Butynoic acid, 4-phenyl-?
The molecular formula of 3-Butynoic acid, 4-phenyl- is C10H8O2.
What is the molecular weight of 3-Butynoic acid, 4-phenyl-?
The molecular weight of 3-Butynoic acid, 4-phenyl- is 160.05 g/mol.
Where can I buy 3-Butynoic acid, 4-phenyl-?
You can request a quote for 3-Butynoic acid, 4-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butynoic acid, 4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Butynoic acid, 4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.