2-Methyl-1-(4-phenyl-1-buten-3-ynyl)naphthalene
TL;DR: 2-Methyl-1-(4-phenyl-1-buten-3-ynyl)naphthalene (CAS 61172-15-4) is a chemical compound with molecular formula C21H16 and molecular weight 268.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-[(Z)-4-phenylbut-1-en-3-ynyl]naphthalene
Also Known As: 2-methyl-1-(4-phenyl-1-buten-3-ynyl)naphthalene, 2-methyl-1-[(Z)-4-phenylbut-1-en-3-ynyl]naphthalene, AB-131/42301054
| Molecular Formula | C21H16 |
|---|---|
| Molecular Weight | 268.13 g/mol |
| LogP | 5.21312 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.1252 |
| Heavy Atoms | 21 |
| Complexity | 843.3359 |
Chemical Identifiers
| CAS Number | 61172-15-4 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2C=C1)/C=C\C#CC3=CC=CC=C3 |
Product Overview
2-Methyl-1-(4-phenyl-1-buten-3-ynyl)naphthalene (CAS 61172-15-4), with molecular formula C21H16 and molecular weight 268.13 g/mol. IUPAC: 2-methyl-1-[(Z)-4-phenylbut-1-en-3-ynyl]naphthalene.
Chemical Property Profile of 2-Methyl-1-(4-phenyl-1-buten-3-ynyl)naphthalene
Property Insights of 2-Methyl-1-(4-phenyl-1-buten-3-ynyl)naphthalene
The XLogP value of 5.21312 indicates that 2-Methyl-1-(4-phenyl-1-buten-3-ynyl)naphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Methyl-1-(4-phenyl-1-buten-3-ynyl)naphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1-(4-phenyl-1-buten-3-ynyl)naphthalene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Methyl-1-(4-phenyl-1-buten-3-ynyl)naphthalene?
The CAS number of 2-Methyl-1-(4-phenyl-1-buten-3-ynyl)naphthalene is 61172-15-4.
What is the molecular formula of 2-Methyl-1-(4-phenyl-1-buten-3-ynyl)naphthalene?
The molecular formula of 2-Methyl-1-(4-phenyl-1-buten-3-ynyl)naphthalene is C21H16.
What is the molecular weight of 2-Methyl-1-(4-phenyl-1-buten-3-ynyl)naphthalene?
The molecular weight of 2-Methyl-1-(4-phenyl-1-buten-3-ynyl)naphthalene is 268.13 g/mol.
Where can I buy 2-Methyl-1-(4-phenyl-1-buten-3-ynyl)naphthalene?
You can request a quote for 2-Methyl-1-(4-phenyl-1-buten-3-ynyl)naphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1-(4-phenyl-1-buten-3-ynyl)naphthalene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1-(4-phenyl-1-buten-3-ynyl)naphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.