4-叔丁基-3-羟基-2,6-二甲基苯乙腈
TL;DR: 4-叔丁基-3-羟基-2,6-二甲基苯乙腈 (CAS 55699-10-0) is a chemical compound with molecular formula C14H19NO and molecular weight 217.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-叔丁基-3-羟基-2,6-二甲基苯乙腈
2-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)acetonitrile
Also Known As: Chloraniformethan, Oxymetazoline EP Impurity E, TRICLOFENOL, 4-tert-Butyl-3-hydroxy-2,6-xylylacetonitrile, 2-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)acetonitrile
| Molecular Formula | C14H19NO |
|---|---|
| Molecular Weight | 217.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.14667 |
| Heavy Atoms | 16 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 55699-10-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1CC#N)C)O)C(C)(C)C |
| InChIKey | OUKJZHRCKQJXSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-叔丁基-3-羟基-2,6-二甲基苯乙腈 (CAS 55699-10-0), with molecular formula C14H19NO and molecular weight 217.15 g/mol. IUPAC: 2-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)acetonitrile.
Chemical Property Profile of 4-叔丁基-3-羟基-2,6-二甲基苯乙腈
Property Insights of 4-叔丁基-3-羟基-2,6-二甲基苯乙腈
The XLogP value of 3.6 indicates that 4-叔丁基-3-羟基-2,6-二甲基苯乙腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.0 Ų, 4-叔丁基-3-羟基-2,6-二甲基苯乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-叔丁基-3-羟基-2,6-二甲基苯乙腈 has 1 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-叔丁基-3-羟基-2,6-二甲基苯乙腈?
The CAS number of 4-叔丁基-3-羟基-2,6-二甲基苯乙腈 is 55699-10-0.
What is the molecular formula of 4-叔丁基-3-羟基-2,6-二甲基苯乙腈?
The molecular formula of 4-叔丁基-3-羟基-2,6-二甲基苯乙腈 is C14H19NO.
What is the molecular weight of 4-叔丁基-3-羟基-2,6-二甲基苯乙腈?
The molecular weight of 4-叔丁基-3-羟基-2,6-二甲基苯乙腈 is 217.15 g/mol.
Where can I buy 4-叔丁基-3-羟基-2,6-二甲基苯乙腈?
You can request a quote for 4-叔丁基-3-羟基-2,6-二甲基苯乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-叔丁基-3-羟基-2,6-二甲基苯乙腈?
Yes, KEHONG BIO provides custom synthesis services for 4-叔丁基-3-羟基-2,6-二甲基苯乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.