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Methyl 2-{[(adamantanylethyl)amino]carbonylamino}benzoate
TL;DR: Methyl 2-{[(adamantanylethyl)amino]carbonylamino}benzoate (CAS 701946-70-5) is a chemical compound with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-(1-adamantyl)ethylcarbamoylamino]benzoate
Also Known As: methyl 2-[1-(1-adamantyl)ethylcarbamoylamino]benzoate, methyl 2-(3-(1-(adamantan-1-yl)ethyl)ureido)benzoate, methyl 2-{[(adamantanylethyl)amino]carbonylamino}benzoate, methyl 2-({[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]carbamoyl}amino)benzoate
| Molecular Formula | C21H28N2O3 |
|---|---|
| Molecular Weight | 356.21 g/mol |
| LogP | 4.1996 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.21 |
| Heavy Atoms | 26 |
| Complexity | 679.67847 |
Chemical Identifiers
| CAS Number | 701946-70-5 |
|---|---|
| SMILES | CC(C12CC3CC(C1)CC(C3)C2)NC(=O)NC4=CC=CC=C4C(=O)OC |
Product Overview
Methyl 2-{[(adamantanylethyl)amino]carbonylamino}benzoate (CAS 701946-70-5), with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol. IUPAC: methyl 2-[1-(1-adamantyl)ethylcarbamoylamino]benzoate.
Chemical Property Profile of Methyl 2-{[(adamantanylethyl)amino]carbonylamino}benzoate
Property Insights of Methyl 2-{[(adamantanylethyl)amino]carbonylamino}benzoate
The XLogP value of 4.1996 indicates that Methyl 2-{[(adamantanylethyl)amino]carbonylamino}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-{[(adamantanylethyl)amino]carbonylamino}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[(adamantanylethyl)amino]carbonylamino}benzoate has 2 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 2-{[(adamantanylethyl)amino]carbonylamino}benzoate?
The CAS number of Methyl 2-{[(adamantanylethyl)amino]carbonylamino}benzoate is 701946-70-5.
What is the molecular formula of Methyl 2-{[(adamantanylethyl)amino]carbonylamino}benzoate?
The molecular formula of Methyl 2-{[(adamantanylethyl)amino]carbonylamino}benzoate is C21H28N2O3.
What is the molecular weight of Methyl 2-{[(adamantanylethyl)amino]carbonylamino}benzoate?
The molecular weight of Methyl 2-{[(adamantanylethyl)amino]carbonylamino}benzoate is 356.21 g/mol.
Where can I buy Methyl 2-{[(adamantanylethyl)amino]carbonylamino}benzoate?
You can request a quote for Methyl 2-{[(adamantanylethyl)amino]carbonylamino}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-{[(adamantanylethyl)amino]carbonylamino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(adamantanylethyl)amino]carbonylamino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.