Methyl 4-(diphenylcarbamoylamino)benzoate
TL;DR: Methyl 4-(diphenylcarbamoylamino)benzoate (CAS 501105-07-3) is a chemical compound with molecular formula C21H18N2O3 and molecular weight 346.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(diphenylcarbamoylamino)benzoate
Also Known As: methyl 4-(diphenylcarbamoylamino)benzoate, methyl 4-(3,3-diphenylureido)benzoate, methyl 4-[(diphenylcarbamoyl)amino]benzoate, methyl p-(3,3-diphenylureido)benzoate, methyl 4-[(N,N-diphenylcarbamoyl)amino]benzoate
| Molecular Formula | C21H18N2O3 |
|---|---|
| Molecular Weight | 346.13 g/mol |
| LogP | 4.8434 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.13174 |
| Heavy Atoms | 26 |
| Complexity | 838.64935 |
Chemical Identifiers
| CAS Number | 501105-07-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
Methyl 4-(diphenylcarbamoylamino)benzoate (CAS 501105-07-3), with molecular formula C21H18N2O3 and molecular weight 346.13 g/mol. IUPAC: methyl 4-(diphenylcarbamoylamino)benzoate.
Chemical Property Profile of Methyl 4-(diphenylcarbamoylamino)benzoate
Property Insights of Methyl 4-(diphenylcarbamoylamino)benzoate
The XLogP value of 4.8434 indicates that Methyl 4-(diphenylcarbamoylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, Methyl 4-(diphenylcarbamoylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(diphenylcarbamoylamino)benzoate has 1 hydrogen bond donor(s) and 3 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-(diphenylcarbamoylamino)benzoate?
The CAS number of Methyl 4-(diphenylcarbamoylamino)benzoate is 501105-07-3.
What is the molecular formula of Methyl 4-(diphenylcarbamoylamino)benzoate?
The molecular formula of Methyl 4-(diphenylcarbamoylamino)benzoate is C21H18N2O3.
What is the molecular weight of Methyl 4-(diphenylcarbamoylamino)benzoate?
The molecular weight of Methyl 4-(diphenylcarbamoylamino)benzoate is 346.13 g/mol.
Where can I buy Methyl 4-(diphenylcarbamoylamino)benzoate?
You can request a quote for Methyl 4-(diphenylcarbamoylamino)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-(diphenylcarbamoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(diphenylcarbamoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.