3-(4-甲基联苯-2-基氧基)邻苯二甲腈
TL;DR: 3-(4-甲基联苯-2-基氧基)邻苯二甲腈 (CAS 301658-09-3) is a chemical compound with molecular formula C21H14N2O and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-甲基联苯-2-基氧基)邻苯二甲腈
3-(5-methyl-2-phenylphenoxy)benzene-1,2-dicarbonitrile
Also Known As: 3-(4-Methyl-biphenyl-2-yloxy)-phthalonitrile, 3-(5-methyl-2-phenylphenoxy)benzene-1,2-dicarbonitrile, AB01325723-02, 3-[(4-Methyl[1,1'-biphenyl]-2-yl)oxy]phthalonitrile, 3-[(4-Methyl[1,1'-biphenyl]-2-yl)oxy]phthalonitrile #
| Molecular Formula | C21H14N2O |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.11063 |
| Heavy Atoms | 24 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 301658-09-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2=CC=CC=C2)OC3=CC=CC(=C3C#N)C#N |
| InChIKey | LXQHRZJPQAOFJX-UHFFFAOYSA-N |
Product Overview
3-(4-甲基联苯-2-基氧基)邻苯二甲腈 (CAS 301658-09-3), with molecular formula C21H14N2O and molecular weight 310.11 g/mol. IUPAC: 3-(5-methyl-2-phenylphenoxy)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 3-(4-甲基联苯-2-基氧基)邻苯二甲腈
Property Insights of 3-(4-甲基联苯-2-基氧基)邻苯二甲腈
The XLogP value of 4.9 indicates that 3-(4-甲基联苯-2-基氧基)邻苯二甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, 3-(4-甲基联苯-2-基氧基)邻苯二甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-甲基联苯-2-基氧基)邻苯二甲腈 has 0 hydrogen bond donor(s) and 3 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-(4-甲基联苯-2-基氧基)邻苯二甲腈?
The CAS number of 3-(4-甲基联苯-2-基氧基)邻苯二甲腈 is 301658-09-3.
What is the molecular formula of 3-(4-甲基联苯-2-基氧基)邻苯二甲腈?
The molecular formula of 3-(4-甲基联苯-2-基氧基)邻苯二甲腈 is C21H14N2O.
What is the molecular weight of 3-(4-甲基联苯-2-基氧基)邻苯二甲腈?
The molecular weight of 3-(4-甲基联苯-2-基氧基)邻苯二甲腈 is 310.11 g/mol.
Where can I buy 3-(4-甲基联苯-2-基氧基)邻苯二甲腈?
You can request a quote for 3-(4-甲基联苯-2-基氧基)邻苯二甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-甲基联苯-2-基氧基)邻苯二甲腈?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-甲基联苯-2-基氧基)邻苯二甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.