Methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate
TL;DR: Methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate (CAS 5328-43-8) is a chemical compound with molecular formula C17H27NO3S and molecular weight 325.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate
Also Known As: methyl N-(1-adamantylcarbonyl)methioninate, methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate, AB00080951-01, methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanyl-butanoate, methyl 2-(adamantanylcarbonylamino)-4-methylthiobutanoate
| Molecular Formula | C17H27NO3S |
|---|---|
| Molecular Weight | 325.17 g/mol |
| LogP | 2.6137 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.17117 |
| Heavy Atoms | 22 |
| Complexity | 415.9008 |
Chemical Identifiers
| CAS Number | 5328-43-8 |
|---|---|
| SMILES | COC(=O)C(CCSC)NC(=O)C12CC3CC(C1)CC(C3)C2 |
Product Overview
Methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate (CAS 5328-43-8), with molecular formula C17H27NO3S and molecular weight 325.17 g/mol. IUPAC: methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate.
Chemical Property Profile of Methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate
Property Insights of Methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate
The XLogP value of 2.6137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate 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 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate?
The CAS number of Methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate is 5328-43-8.
What is the molecular formula of Methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate?
The molecular formula of Methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate is C17H27NO3S.
What is the molecular weight of Methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate?
The molecular weight of Methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate is 325.17 g/mol.
Where can I buy Methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate?
You can request a quote for Methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.