![Methyl 2-({[(1-adamantylacetyl)amino]carbothioyl}amino)benzoate structure](/static/products/7089/708993-22-0.webp)
Methyl 2-({[(1-adamantylacetyl)amino]carbothioyl}amino)benzoate
TL;DR: Methyl 2-({[(1-adamantylacetyl)amino]carbothioyl}amino)benzoate (CAS 708993-22-0) is a chemical compound with molecular formula C21H26N2O3S and molecular weight 386.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(1-adamantyl)acetyl]carbamothioylamino]benzoate
Also Known As: AP-970/42769980, methyl 2-[[2-(1-adamantyl)acetyl]carbamothioylamino]benzoate, methyl 2-({[(1-adamantylacetyl)amino]carbothioyl}amino)benzoate, methyl 2-(3-(2-(adamantan-1-yl)acetyl)thioureido)benzoate, methyl 2-{[(tricyclo[3.3.1.1~3,7~]dec-1-ylacetyl)carbamothioyl]amino}benzoate
| Molecular Formula | C21H26N2O3S |
|---|---|
| Molecular Weight | 386.17 g/mol |
| LogP | 3.8927 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.1664 |
| Heavy Atoms | 27 |
| Complexity | 741.16095 |
Chemical Identifiers
| CAS Number | 708993-22-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3 |
Product Overview
Methyl 2-({[(1-adamantylacetyl)amino]carbothioyl}amino)benzoate (CAS 708993-22-0), with molecular formula C21H26N2O3S and molecular weight 386.17 g/mol. IUPAC: methyl 2-[[2-(1-adamantyl)acetyl]carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 2-({[(1-adamantylacetyl)amino]carbothioyl}amino)benzoate
Property Insights of Methyl 2-({[(1-adamantylacetyl)amino]carbothioyl}amino)benzoate
The XLogP value of 3.8927 indicates that Methyl 2-({[(1-adamantylacetyl)amino]carbothioyl}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-adamantylacetyl)amino]carbothioyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 2-({[(1-adamantylacetyl)amino]carbothioyl}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-adamantylacetyl)amino]carbothioyl}amino)benzoate?
The CAS number of Methyl 2-({[(1-adamantylacetyl)amino]carbothioyl}amino)benzoate is 708993-22-0.
What is the molecular formula of Methyl 2-({[(1-adamantylacetyl)amino]carbothioyl}amino)benzoate?
The molecular formula of Methyl 2-({[(1-adamantylacetyl)amino]carbothioyl}amino)benzoate is C21H26N2O3S.
What is the molecular weight of Methyl 2-({[(1-adamantylacetyl)amino]carbothioyl}amino)benzoate?
The molecular weight of Methyl 2-({[(1-adamantylacetyl)amino]carbothioyl}amino)benzoate is 386.17 g/mol.
Where can I buy Methyl 2-({[(1-adamantylacetyl)amino]carbothioyl}amino)benzoate?
You can request a quote for Methyl 2-({[(1-adamantylacetyl)amino]carbothioyl}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-adamantylacetyl)amino]carbothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-({[(1-adamantylacetyl)amino]carbothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.