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Methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate
TL;DR: Methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate (CAS 354544-31-3) is a chemical compound with molecular formula C17H21NO3S and molecular weight 319.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(adamantane-1-carbonylamino)thiophene-2-carboxylate
Also Known As: methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate, methyl 3-(adamantane-1-amido)thiophene-2-carboxylate, methyl 3-(adamantane-1-carbonylamino)thiophene-2-carboxylate, METHYL 3-(ADAMANTANYLCARBONYLAMINO)THIOPHENE-2-CARBOXYLATE, Methyl 3-(adamantane-1-carboxamido)thiophene-2-carboxylate
| Molecular Formula | C17H21NO3S |
|---|---|
| Molecular Weight | 319.12 g/mol |
| LogP | 3.6896 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.1242 |
| Heavy Atoms | 22 |
| Complexity | 585.8909 |
Chemical Identifiers
| CAS Number | 354544-31-3 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC(=O)C23CC4CC(C2)CC(C4)C3 |
Product Overview
Methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate (CAS 354544-31-3), with molecular formula C17H21NO3S and molecular weight 319.12 g/mol. IUPAC: methyl 3-(adamantane-1-carbonylamino)thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate
Property Insights of Methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate
The XLogP value of 3.6896 indicates that Methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate has 1 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 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate?
The CAS number of Methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate is 354544-31-3.
What is the molecular formula of Methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate?
The molecular formula of Methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate is C17H21NO3S.
What is the molecular weight of Methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate?
The molecular weight of Methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate is 319.12 g/mol.
Where can I buy Methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate?
You can request a quote for Methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(1-adamantylcarbonyl)amino]-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.