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Methyl 2-[(1-adamantylacetyl)amino]-3,4,5-trimethoxybenzoate
TL;DR: Methyl 2-[(1-adamantylacetyl)amino]-3,4,5-trimethoxybenzoate (CAS 698986-11-7) is a chemical compound with molecular formula C23H31NO6 and molecular weight 417.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(1-adamantyl)acetyl]amino]-3,4,5-trimethoxybenzoate
Also Known As: AO-080/43378334, methyl 2-[(1-adamantylacetyl)amino]-3,4,5-trimethoxybenzoate, A3670/0155584, methyl 2-[[2-(1-adamantyl)acetyl]amino]-3,4,5-trimethoxybenzoate, methyl 2-(2-(adamantan-1-yl)acetamido)-3,4,5-trimethoxybenzoate
| Molecular Formula | C23H31NO6 |
|---|---|
| Molecular Weight | 417.22 g/mol |
| LogP | 4.044 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.21515 |
| Heavy Atoms | 30 |
| Complexity | 813.30115 |
Chemical Identifiers
| CAS Number | 698986-11-7 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1)C(=O)OC)NC(=O)CC23CC4CC(C2)CC(C4)C3)OC)OC |
Product Overview
Methyl 2-[(1-adamantylacetyl)amino]-3,4,5-trimethoxybenzoate (CAS 698986-11-7), with molecular formula C23H31NO6 and molecular weight 417.22 g/mol. IUPAC: methyl 2-[[2-(1-adamantyl)acetyl]amino]-3,4,5-trimethoxybenzoate.
Chemical Property Profile of Methyl 2-[(1-adamantylacetyl)amino]-3,4,5-trimethoxybenzoate
Property Insights of Methyl 2-[(1-adamantylacetyl)amino]-3,4,5-trimethoxybenzoate
The XLogP value of 4.044 indicates that Methyl 2-[(1-adamantylacetyl)amino]-3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(1-adamantylacetyl)amino]-3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, Methyl 2-[(1-adamantylacetyl)amino]-3,4,5-trimethoxybenzoate has 1 hydrogen bond donor(s) and 6 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]-3,4,5-trimethoxybenzoate?
The CAS number of Methyl 2-[(1-adamantylacetyl)amino]-3,4,5-trimethoxybenzoate is 698986-11-7.
What is the molecular formula of Methyl 2-[(1-adamantylacetyl)amino]-3,4,5-trimethoxybenzoate?
The molecular formula of Methyl 2-[(1-adamantylacetyl)amino]-3,4,5-trimethoxybenzoate is C23H31NO6.
What is the molecular weight of Methyl 2-[(1-adamantylacetyl)amino]-3,4,5-trimethoxybenzoate?
The molecular weight of Methyl 2-[(1-adamantylacetyl)amino]-3,4,5-trimethoxybenzoate is 417.22 g/mol.
Where can I buy Methyl 2-[(1-adamantylacetyl)amino]-3,4,5-trimethoxybenzoate?
You can request a quote for Methyl 2-[(1-adamantylacetyl)amino]-3,4,5-trimethoxybenzoate 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]-3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(1-adamantylacetyl)amino]-3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.