2-(氰基甲基)-5-甲氧基苯甲酸
TL;DR: 2-(氰基甲基)-5-甲氧基苯甲酸 (CAS 76254-25-6) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(氰基甲基)-5-甲氧基苯甲酸
2-(cyanomethyl)-5-methoxybenzoic acid
Also Known As: 2-(cyanomethyl)-5-methoxybenzoic acid, Benzoicacid, 2-(cyanomethyl)-5-methoxy-, 2-Cyanmethyl-5-methoxy-benzoesaeure, Benzoicacid,2-(cyanomethyl)-5-methoxy-, Benzoic acid, 2-(cyanomethyl)-5-methoxy-
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 76254-25-6 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)CC#N)C(=O)O |
| InChIKey | JCGBCBBOMYVUEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(氰基甲基)-5-甲氧基苯甲酸 (CAS 76254-25-6), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: 2-(cyanomethyl)-5-methoxybenzoic acid.
Chemical Property Profile of 2-(氰基甲基)-5-甲氧基苯甲酸
Property Insights of 2-(氰基甲基)-5-甲氧基苯甲酸
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(氰基甲基)-5-甲氧基苯甲酸. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(氰基甲基)-5-甲氧基苯甲酸. Following Lipinski's Rule of Five, 2-(氰基甲基)-5-甲氧基苯甲酸 has 1 hydrogen bond donor(s) and 4 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 2-(氰基甲基)-5-甲氧基苯甲酸?
The CAS number of 2-(氰基甲基)-5-甲氧基苯甲酸 is 76254-25-6.
What is the molecular formula of 2-(氰基甲基)-5-甲氧基苯甲酸?
The molecular formula of 2-(氰基甲基)-5-甲氧基苯甲酸 is C10H9NO3.
What is the molecular weight of 2-(氰基甲基)-5-甲氧基苯甲酸?
The molecular weight of 2-(氰基甲基)-5-甲氧基苯甲酸 is 191.06 g/mol.
Where can I buy 2-(氰基甲基)-5-甲氧基苯甲酸?
You can request a quote for 2-(氰基甲基)-5-甲氧基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(氰基甲基)-5-甲氧基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(氰基甲基)-5-甲氧基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.