![Methyl 2-{[(1-naphthoylamino)carbonothioyl]amino}benzoate structure](/static/products/4016/401619-95-2.webp)
Methyl 2-{[(1-naphthoylamino)carbonothioyl]amino}benzoate
TL;DR: Methyl 2-{[(1-naphthoylamino)carbonothioyl]amino}benzoate (CAS 401619-95-2) is a chemical compound with molecular formula C20H16N2O3S and molecular weight 364.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(naphthalene-1-carbonylcarbamothioylamino)benzoate
Also Known As: methyl 2-{[(1-naphthoylamino)carbonothioyl]amino}benzoate, methyl 2-(3-(1-naphthoyl)thioureido)benzoate, AP-970/40886978, methyl 2-(naphthalene-1-carbonylcarbamothioylamino)benzoate, methyl 2-{[(1-naphthoylamino)carbothioyl]amino}benzoate
| Molecular Formula | C20H16N2O3S |
|---|---|
| Molecular Weight | 364.09 g/mol |
| LogP | 3.7532 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.08817 |
| Heavy Atoms | 26 |
| Complexity | 995.77264 |
Chemical Identifiers
| CAS Number | 401619-95-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=CC3=CC=CC=C32 |
Product Overview
Methyl 2-{[(1-naphthoylamino)carbonothioyl]amino}benzoate (CAS 401619-95-2), with molecular formula C20H16N2O3S and molecular weight 364.09 g/mol. IUPAC: methyl 2-(naphthalene-1-carbonylcarbamothioylamino)benzoate.
Chemical Property Profile of Methyl 2-{[(1-naphthoylamino)carbonothioyl]amino}benzoate
Property Insights of Methyl 2-{[(1-naphthoylamino)carbonothioyl]amino}benzoate
The XLogP value of 3.7532 indicates that Methyl 2-{[(1-naphthoylamino)carbonothioyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(1-naphthoylamino)carbonothioyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[(1-naphthoylamino)carbonothioyl]amino}benzoate has 2 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 2-{[(1-naphthoylamino)carbonothioyl]amino}benzoate?
The CAS number of Methyl 2-{[(1-naphthoylamino)carbonothioyl]amino}benzoate is 401619-95-2.
What is the molecular formula of Methyl 2-{[(1-naphthoylamino)carbonothioyl]amino}benzoate?
The molecular formula of Methyl 2-{[(1-naphthoylamino)carbonothioyl]amino}benzoate is C20H16N2O3S.
What is the molecular weight of Methyl 2-{[(1-naphthoylamino)carbonothioyl]amino}benzoate?
The molecular weight of Methyl 2-{[(1-naphthoylamino)carbonothioyl]amino}benzoate is 364.09 g/mol.
Where can I buy Methyl 2-{[(1-naphthoylamino)carbonothioyl]amino}benzoate?
You can request a quote for Methyl 2-{[(1-naphthoylamino)carbonothioyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[(1-naphthoylamino)carbonothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(1-naphthoylamino)carbonothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.