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Methyl [4-(1-adamantyl)(methylsulfonyl)anilino]acetate
TL;DR: Methyl [4-(1-adamantyl)(methylsulfonyl)anilino]acetate (CAS 592473-64-8) is a chemical compound with molecular formula C20H27NO4S and molecular weight 377.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetate
Also Known As: methyl [4-(1-adamantyl)(methylsulfonyl)anilino]acetate, VU0047432-1, AN-989/42063278, methyl 2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetate, methyl N-(methylsulfonyl)-N-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}glycinate
| Molecular Formula | C20H27NO4S |
|---|---|
| Molecular Weight | 377.17 g/mol |
| LogP | 3.0934 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.16608 |
| Heavy Atoms | 26 |
| Complexity | 764.3208 |
Chemical Identifiers
| CAS Number | 592473-64-8 |
|---|---|
| SMILES | COC(=O)CN(C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C |
Product Overview
Methyl [4-(1-adamantyl)(methylsulfonyl)anilino]acetate (CAS 592473-64-8), with molecular formula C20H27NO4S and molecular weight 377.17 g/mol. IUPAC: methyl 2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetate.
Chemical Property Profile of Methyl [4-(1-adamantyl)(methylsulfonyl)anilino]acetate
Property Insights of Methyl [4-(1-adamantyl)(methylsulfonyl)anilino]acetate
The XLogP value of 3.0934 indicates that Methyl [4-(1-adamantyl)(methylsulfonyl)anilino]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [4-(1-adamantyl)(methylsulfonyl)anilino]acetate. Following Lipinski's Rule of Five, Methyl [4-(1-adamantyl)(methylsulfonyl)anilino]acetate has 0 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 [4-(1-adamantyl)(methylsulfonyl)anilino]acetate?
The CAS number of Methyl [4-(1-adamantyl)(methylsulfonyl)anilino]acetate is 592473-64-8.
What is the molecular formula of Methyl [4-(1-adamantyl)(methylsulfonyl)anilino]acetate?
The molecular formula of Methyl [4-(1-adamantyl)(methylsulfonyl)anilino]acetate is C20H27NO4S.
What is the molecular weight of Methyl [4-(1-adamantyl)(methylsulfonyl)anilino]acetate?
The molecular weight of Methyl [4-(1-adamantyl)(methylsulfonyl)anilino]acetate is 377.17 g/mol.
Where can I buy Methyl [4-(1-adamantyl)(methylsulfonyl)anilino]acetate?
You can request a quote for Methyl [4-(1-adamantyl)(methylsulfonyl)anilino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [4-(1-adamantyl)(methylsulfonyl)anilino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [4-(1-adamantyl)(methylsulfonyl)anilino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.