Methyl 2-(3-cyanopropoxy)benzoate
TL;DR: Methyl 2-(3-cyanopropoxy)benzoate (CAS 134722-23-9) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(3-cyanopropoxy)benzoate
Also Known As: methyl 2-(3-cyanopropoxy)benzoate, METHYL2- BENZOATE, 2-Amino-2-(4-methoxyphenyl)acetic acid hydrochloride
Technical Specifications
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.08954 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 219.08954 Da |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
| SMILES | COC(=O)C1=CC=CC=C1OCCCC#N |
| InChIKey | QJCRLYBFVMRADA-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-(3-cyanopropoxy)benzoate
Property Insights of Methyl 2-(3-cyanopropoxy)benzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(3-cyanopropoxy)benzoate. With a topological polar surface area (TPSA) of 59.3 Ų, Methyl 2-(3-cyanopropoxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(3-cyanopropoxy)benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-(3-cyanopropoxy)benzoate?
The CAS number of Methyl 2-(3-cyanopropoxy)benzoate is 134722-23-9.
What is the molecular formula of Methyl 2-(3-cyanopropoxy)benzoate?
The molecular formula of Methyl 2-(3-cyanopropoxy)benzoate is C12H13NO3.
What is the molecular weight of Methyl 2-(3-cyanopropoxy)benzoate?
The molecular weight of Methyl 2-(3-cyanopropoxy)benzoate is 219.08954 g/mol.
Where can I buy Methyl 2-(3-cyanopropoxy)benzoate?
You can request a quote for Methyl 2-(3-cyanopropoxy)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(3-cyanopropoxy)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(3-cyanopropoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.