4-甲氧基-4-(4-甲基苯基)丁腈
TL;DR: 4-甲氧基-4-(4-甲基苯基)丁腈 (CAS 71172-66-2) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲氧基-4-(4-甲基苯基)丁腈
4-methoxy-4-(4-methylphenyl)butanenitrile
Also Known As: 4-methoxy-4-(4-methylphenyl)butanenitrile, gamma-Methoxy-4-methylbenzenebutenenitrile, gamma-Methoxy-4-methylbenzenebutanenitrile, Benzenebutanenitrile, g-methoxy-4-methyl-, I(3)-Methoxy-4-methylbenzenebutanenitrile
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 71172-66-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CCC#N)OC |
| InChIKey | VYZZDHXIPDBIEV-UHFFFAOYSA-N |
Product Overview
4-甲氧基-4-(4-甲基苯基)丁腈 (CAS 71172-66-2), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 4-methoxy-4-(4-methylphenyl)butanenitrile.
Chemical Property Profile of 4-甲氧基-4-(4-甲基苯基)丁腈
Property Insights of 4-甲氧基-4-(4-甲基苯基)丁腈
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲氧基-4-(4-甲基苯基)丁腈. With a topological polar surface area (TPSA) of 33.0 Ų, 4-甲氧基-4-(4-甲基苯基)丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲氧基-4-(4-甲基苯基)丁腈 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 4-甲氧基-4-(4-甲基苯基)丁腈?
The CAS number of 4-甲氧基-4-(4-甲基苯基)丁腈 is 71172-66-2.
What is the molecular formula of 4-甲氧基-4-(4-甲基苯基)丁腈?
The molecular formula of 4-甲氧基-4-(4-甲基苯基)丁腈 is C12H15NO.
What is the molecular weight of 4-甲氧基-4-(4-甲基苯基)丁腈?
The molecular weight of 4-甲氧基-4-(4-甲基苯基)丁腈 is 189.12 g/mol.
Where can I buy 4-甲氧基-4-(4-甲基苯基)丁腈?
You can request a quote for 4-甲氧基-4-(4-甲基苯基)丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲氧基-4-(4-甲基苯基)丁腈?
Yes, KEHONG BIO provides custom synthesis services for 4-甲氧基-4-(4-甲基苯基)丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.