![Benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]- structure](/static/products/5429/54291-64-4.webp)
Benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]-
TL;DR: Benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]- (CAS 54291-64-4) is a chemical compound with molecular formula C17H15NO5 and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]benzoic acid
Also Known As: Benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]-, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]benzoic acid, 4-(5-cyanomethyl-2,3-dimethoxy-phenoxy)-benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxy-phenoxy]benzoic acid
| Molecular Formula | C17H15NO5 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.09503 |
| Heavy Atoms | 23 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 54291-64-4 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)CC#N)OC2=CC=C(C=C2)C(=O)O)OC |
| InChIKey | WDOFLTOUALVWLE-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]- (CAS 54291-64-4), with molecular formula C17H15NO5 and molecular weight 313.10 g/mol. IUPAC: 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]benzoic acid.
Chemical Property Profile of Benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]-
Property Insights of Benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]-. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]-. Following Lipinski's Rule of Five, Benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]- has 1 hydrogen bond donor(s) and 6 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 Benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]-?
The CAS number of Benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]- is 54291-64-4.
What is the molecular formula of Benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]-?
The molecular formula of Benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]- is C17H15NO5.
What is the molecular weight of Benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]-?
The molecular weight of Benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]- is 313.10 g/mol.
Where can I buy Benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]-?
You can request a quote for Benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[5-(cyanomethyl)-2,3-dimethoxyphenoxy]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.