Methyl 4-(Nicotinamidomethyl)benzoate
TL;DR: Methyl 4-(Nicotinamidomethyl)benzoate (CAS 554407-47-5) is a chemical compound with molecular formula C15H14N2O3 and molecular weight 270.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(pyridine-3-carbonylamino)methyl]benzoate
Also Known As: Methyl 4-(Nicotinamidomethyl)benzoate, Methyl4-(Nicotinamidomethyl)benzoate, methyl 4-[(pyridine-3-carbonylamino)methyl]benzoate, methyl 4-((nicotinamido)methyl)benzoate, Methyl 4-(Pyridine-3-carbonylamino)methylbenzoate
| Molecular Formula | C15H14N2O3 |
|---|---|
| Molecular Weight | 270.10 g/mol |
| LogP | 1.7982 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.10043 |
| Heavy Atoms | 20 |
| Complexity | 594.2755 |
Chemical Identifiers
| CAS Number | 554407-47-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CN=CC=C2 |
Product Overview
Methyl 4-(Nicotinamidomethyl)benzoate (CAS 554407-47-5), with molecular formula C15H14N2O3 and molecular weight 270.10 g/mol. IUPAC: methyl 4-[(pyridine-3-carbonylamino)methyl]benzoate.
Chemical Property Profile of Methyl 4-(Nicotinamidomethyl)benzoate
Property Insights of Methyl 4-(Nicotinamidomethyl)benzoate
The XLogP value of 1.7982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(Nicotinamidomethyl)benzoate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(Nicotinamidomethyl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(Nicotinamidomethyl)benzoate 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 Methyl 4-(Nicotinamidomethyl)benzoate?
The CAS number of Methyl 4-(Nicotinamidomethyl)benzoate is 554407-47-5.
What is the molecular formula of Methyl 4-(Nicotinamidomethyl)benzoate?
The molecular formula of Methyl 4-(Nicotinamidomethyl)benzoate is C15H14N2O3.
What is the molecular weight of Methyl 4-(Nicotinamidomethyl)benzoate?
The molecular weight of Methyl 4-(Nicotinamidomethyl)benzoate is 270.10 g/mol.
Where can I buy Methyl 4-(Nicotinamidomethyl)benzoate?
You can request a quote for Methyl 4-(Nicotinamidomethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(Nicotinamidomethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(Nicotinamidomethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.