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Methyl 4,5-dimethoxy-2-[(phenylcarbamoyl)amino]benzoate
TL;DR: Methyl 4,5-dimethoxy-2-[(phenylcarbamoyl)amino]benzoate (CAS 218134-94-2) is a chemical compound with molecular formula C17H18N2O5 and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethoxy-2-(phenylcarbamoylamino)benzoate
Also Known As: Maybridge1_003989, methyl 4,5-dimethoxy-2-[(phenylcarbamoyl)amino]benzoate, methyl 4,5-dimethoxy-2-(3-phenylureido)benzoate, methyl 4,5-dimethoxy-2-(phenylcarbamoylamino)benzoate, methyl 2-[(anilinocarbonyl)amino]-4,5-dimethoxybenzoate
| Molecular Formula | C17H18N2O5 |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 85.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.12158 |
| Heavy Atoms | 24 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 218134-94-2 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)NC2=CC=CC=C2)OC |
| InChIKey | QSGBDCUZLUVKHI-UHFFFAOYSA-N |
Product Overview
Methyl 4,5-dimethoxy-2-[(phenylcarbamoyl)amino]benzoate (CAS 218134-94-2), with molecular formula C17H18N2O5 and molecular weight 330.12 g/mol. IUPAC: methyl 4,5-dimethoxy-2-(phenylcarbamoylamino)benzoate.
Chemical Property Profile of Methyl 4,5-dimethoxy-2-[(phenylcarbamoyl)amino]benzoate
Property Insights of Methyl 4,5-dimethoxy-2-[(phenylcarbamoyl)amino]benzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4,5-dimethoxy-2-[(phenylcarbamoyl)amino]benzoate. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4,5-dimethoxy-2-[(phenylcarbamoyl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 4,5-dimethoxy-2-[(phenylcarbamoyl)amino]benzoate has 2 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 4,5-dimethoxy-2-[(phenylcarbamoyl)amino]benzoate?
The CAS number of Methyl 4,5-dimethoxy-2-[(phenylcarbamoyl)amino]benzoate is 218134-94-2.
What is the molecular formula of Methyl 4,5-dimethoxy-2-[(phenylcarbamoyl)amino]benzoate?
The molecular formula of Methyl 4,5-dimethoxy-2-[(phenylcarbamoyl)amino]benzoate is C17H18N2O5.
What is the molecular weight of Methyl 4,5-dimethoxy-2-[(phenylcarbamoyl)amino]benzoate?
The molecular weight of Methyl 4,5-dimethoxy-2-[(phenylcarbamoyl)amino]benzoate is 330.12 g/mol.
Where can I buy Methyl 4,5-dimethoxy-2-[(phenylcarbamoyl)amino]benzoate?
You can request a quote for Methyl 4,5-dimethoxy-2-[(phenylcarbamoyl)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 4,5-dimethoxy-2-[(phenylcarbamoyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,5-dimethoxy-2-[(phenylcarbamoyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.