trans-1-Phenyl-3,4-epoxy-1-pentyne
TL;DR: trans-1-Phenyl-3,4-epoxy-1-pentyne (CAS 110411-10-4) is a chemical compound with molecular formula C11H10O and molecular weight 158.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-(2-phenylethynyl)oxirane
Also Known As: 2-Methyl-3-(phenylethynyl)oxirane, 2-methyl-3-(2-phenylethynyl)oxirane, 2-(Phenylethynyl)-3-methyloxirane, cis-1-Phenyl-3,4-epoxy-1-pentyne, 2-Methyl-3-(phenylethynyl)oxirane #
| Molecular Formula | C11H10O |
|---|---|
| Molecular Weight | 158.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.07317 |
| Heavy Atoms | 12 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 110411-10-4 |
|---|---|
| SMILES | CC1C(O1)C#CC2=CC=CC=C2 |
| InChIKey | NJBKIKLACZOPFB-UHFFFAOYSA-N |
Product Overview
trans-1-Phenyl-3,4-epoxy-1-pentyne (CAS 110411-10-4), with molecular formula C11H10O and molecular weight 158.07 g/mol. IUPAC: 2-methyl-3-(2-phenylethynyl)oxirane.
Chemical Property Profile of trans-1-Phenyl-3,4-epoxy-1-pentyne
Property Insights of trans-1-Phenyl-3,4-epoxy-1-pentyne
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-1-Phenyl-3,4-epoxy-1-pentyne. With a topological polar surface area (TPSA) of 12.5 Ų, trans-1-Phenyl-3,4-epoxy-1-pentyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-1-Phenyl-3,4-epoxy-1-pentyne 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 trans-1-Phenyl-3,4-epoxy-1-pentyne?
The CAS number of trans-1-Phenyl-3,4-epoxy-1-pentyne is 110411-10-4.
What is the molecular formula of trans-1-Phenyl-3,4-epoxy-1-pentyne?
The molecular formula of trans-1-Phenyl-3,4-epoxy-1-pentyne is C11H10O.
What is the molecular weight of trans-1-Phenyl-3,4-epoxy-1-pentyne?
The molecular weight of trans-1-Phenyl-3,4-epoxy-1-pentyne is 158.07 g/mol.
Where can I buy trans-1-Phenyl-3,4-epoxy-1-pentyne?
You can request a quote for trans-1-Phenyl-3,4-epoxy-1-pentyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-1-Phenyl-3,4-epoxy-1-pentyne?
Yes, KEHONG BIO provides custom synthesis services for trans-1-Phenyl-3,4-epoxy-1-pentyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.