![Methyl 4-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate structure](/static/products/2411/241127-61-7.webp)
Methyl 4-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate
TL;DR: Methyl 4-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate (CAS 241127-61-7) is a chemical compound with molecular formula C19H17NO4 and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(1,4-dihydroxynaphthalen-2-yl)methylamino]benzoate
Also Known As: NCI60_029118, methyl 4-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate, Methyl 4-(((1,4-dihydroxy-2-naphthyl)methyl)amino)benzoate, methyl 4-[(1,4-dihydroxynaphthalen-2-yl)methylamino]benzoate, Benzoic acid,4-dihydroxynaphthalenyl)methyl]amino]-, methyl ester
| Molecular Formula | C19H17NO4 |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.11575 |
| Heavy Atoms | 24 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 241127-61-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NCC2=C(C3=CC=CC=C3C(=C2)O)O |
| InChIKey | VCIGMSXFBWIQPP-UHFFFAOYSA-N |
Product Overview
Methyl 4-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate (CAS 241127-61-7), with molecular formula C19H17NO4 and molecular weight 323.12 g/mol. IUPAC: methyl 4-[(1,4-dihydroxynaphthalen-2-yl)methylamino]benzoate.
Chemical Property Profile of Methyl 4-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate
Property Insights of Methyl 4-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate
The XLogP value of 3.8 indicates that Methyl 4-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate has 3 hydrogen bond donor(s) and 5 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-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate?
The CAS number of Methyl 4-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate is 241127-61-7.
What is the molecular formula of Methyl 4-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate?
The molecular formula of Methyl 4-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate is C19H17NO4.
What is the molecular weight of Methyl 4-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate?
The molecular weight of Methyl 4-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate is 323.12 g/mol.
Where can I buy Methyl 4-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate?
You can request a quote for Methyl 4-[(1,4-dihydroxy-2-naphthyl)methylamino]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-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(1,4-dihydroxy-2-naphthyl)methylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.