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Methyl 2-(adamantan-1-yl)-2-[(butylcarbamoyl)amino]acetate
TL;DR: Methyl 2-(adamantan-1-yl)-2-[(butylcarbamoyl)amino]acetate (CAS 473267-95-7) is a chemical compound with molecular formula C18H30N2O3 and molecular weight 322.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-adamantyl)-2-(butylcarbamoylamino)acetate
Also Known As: BIM-0007087.P001, methyl 2-(adamantan-1-yl)-2-[(butylcarbamoyl)amino]acetate, VU0494114-1, methyl 1-adamantyl{[(butylamino)carbonyl]amino}acetate, methyl 2-(1-adamantyl)-2-(butylcarbamoylamino)acetate
| Molecular Formula | C18H30N2O3 |
|---|---|
| Molecular Weight | 322.23 g/mol |
| LogP | 2.8437 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.22565 |
| Heavy Atoms | 23 |
| Complexity | 427.89883 |
Chemical Identifiers
| CAS Number | 473267-95-7 |
|---|---|
| SMILES | CCCCNC(=O)NC(C(=O)OC)C12CC3CC(C1)CC(C3)C2 |
Product Overview
Methyl 2-(adamantan-1-yl)-2-[(butylcarbamoyl)amino]acetate (CAS 473267-95-7), with molecular formula C18H30N2O3 and molecular weight 322.23 g/mol. IUPAC: methyl 2-(1-adamantyl)-2-(butylcarbamoylamino)acetate.
Chemical Property Profile of Methyl 2-(adamantan-1-yl)-2-[(butylcarbamoyl)amino]acetate
Property Insights of Methyl 2-(adamantan-1-yl)-2-[(butylcarbamoyl)amino]acetate
The XLogP value of 2.8437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(adamantan-1-yl)-2-[(butylcarbamoyl)amino]acetate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(adamantan-1-yl)-2-[(butylcarbamoyl)amino]acetate. Following Lipinski's Rule of Five, Methyl 2-(adamantan-1-yl)-2-[(butylcarbamoyl)amino]acetate 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-(adamantan-1-yl)-2-[(butylcarbamoyl)amino]acetate?
The CAS number of Methyl 2-(adamantan-1-yl)-2-[(butylcarbamoyl)amino]acetate is 473267-95-7.
What is the molecular formula of Methyl 2-(adamantan-1-yl)-2-[(butylcarbamoyl)amino]acetate?
The molecular formula of Methyl 2-(adamantan-1-yl)-2-[(butylcarbamoyl)amino]acetate is C18H30N2O3.
What is the molecular weight of Methyl 2-(adamantan-1-yl)-2-[(butylcarbamoyl)amino]acetate?
The molecular weight of Methyl 2-(adamantan-1-yl)-2-[(butylcarbamoyl)amino]acetate is 322.23 g/mol.
Where can I buy Methyl 2-(adamantan-1-yl)-2-[(butylcarbamoyl)amino]acetate?
You can request a quote for Methyl 2-(adamantan-1-yl)-2-[(butylcarbamoyl)amino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(adamantan-1-yl)-2-[(butylcarbamoyl)amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(adamantan-1-yl)-2-[(butylcarbamoyl)amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.