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Methyl 2-[(3-chloro-1-adamantyl)carbamoylamino]acetate
TL;DR: Methyl 2-[(3-chloro-1-adamantyl)carbamoylamino]acetate (CAS 438481-30-2) is a chemical compound with molecular formula C14H21ClN2O3 and molecular weight 300.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-chloro-1-adamantyl)carbamoylamino]acetate
Also Known As: methyl 2-[(3-chloro-1-adamantyl)carbamoylamino]acetate, methyl 2-{[N-(3-chloroadamantanyl)carbamoyl]amino}acetate, F1142-1993, methyl [3-(3-chloro-1-adamantanyl)ureido]acetate, METHYL 2-{[(3-CHLOROADAMANTAN-1-YL)CARBAMOYL]AMINO}ACETATE
| Molecular Formula | C14H21ClN2O3 |
|---|---|
| Molecular Weight | 300.12 g/mol |
| LogP | 1.7888 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.12408 |
| Heavy Atoms | 20 |
| Complexity | 426.13495 |
Chemical Identifiers
| CAS Number | 438481-30-2 |
|---|---|
| SMILES | COC(=O)CNC(=O)NC12CC3CC(C1)CC(C3)(C2)Cl |
Product Overview
Methyl 2-[(3-chloro-1-adamantyl)carbamoylamino]acetate (CAS 438481-30-2), with molecular formula C14H21ClN2O3 and molecular weight 300.12 g/mol. IUPAC: methyl 2-[(3-chloro-1-adamantyl)carbamoylamino]acetate.
Chemical Property Profile of Methyl 2-[(3-chloro-1-adamantyl)carbamoylamino]acetate
Property Insights of Methyl 2-[(3-chloro-1-adamantyl)carbamoylamino]acetate
The XLogP value of 1.7888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(3-chloro-1-adamantyl)carbamoylamino]acetate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(3-chloro-1-adamantyl)carbamoylamino]acetate. Following Lipinski's Rule of Five, Methyl 2-[(3-chloro-1-adamantyl)carbamoylamino]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-[(3-chloro-1-adamantyl)carbamoylamino]acetate?
The CAS number of Methyl 2-[(3-chloro-1-adamantyl)carbamoylamino]acetate is 438481-30-2.
What is the molecular formula of Methyl 2-[(3-chloro-1-adamantyl)carbamoylamino]acetate?
The molecular formula of Methyl 2-[(3-chloro-1-adamantyl)carbamoylamino]acetate is C14H21ClN2O3.
What is the molecular weight of Methyl 2-[(3-chloro-1-adamantyl)carbamoylamino]acetate?
The molecular weight of Methyl 2-[(3-chloro-1-adamantyl)carbamoylamino]acetate is 300.12 g/mol.
Where can I buy Methyl 2-[(3-chloro-1-adamantyl)carbamoylamino]acetate?
You can request a quote for Methyl 2-[(3-chloro-1-adamantyl)carbamoylamino]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-[(3-chloro-1-adamantyl)carbamoylamino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(3-chloro-1-adamantyl)carbamoylamino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.