![Methyl 3-methyl-2-[(3,5,8-trimethyladamantanyl)carbonylamino]butanoate structure](/static/products/1009/1009412-26-3.webp)
Methyl 3-methyl-2-[(3,5,8-trimethyladamantanyl)carbonylamino]butanoate
TL;DR: Methyl 3-methyl-2-[(3,5,8-trimethyladamantanyl)carbonylamino]butanoate (CAS 1009412-26-3) is a chemical compound with molecular formula C20H33NO3 and molecular weight 335.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]butanoate
Also Known As: methyl 3-methyl-2-[(3,5,8-trimethyladamantanyl)carbonylamino]butanoate, AF-399/41535548, methyl 3-methyl-2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]butanoate, methyl 3-methyl-2-{[(3,5,7-trimethyl-1-adamantyl)carbonyl]amino}butanoate
| Molecular Formula | C20H33NO3 |
|---|---|
| Molecular Weight | 335.25 g/mol |
| LogP | 3.6869 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.24603 |
| Heavy Atoms | 24 |
| Complexity | 513.6824 |
Chemical Identifiers
| CAS Number | 1009412-26-3 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)NC(=O)C12CC3(CC(C1)(CC(C3)(C2)C)C)C |
Product Overview
Methyl 3-methyl-2-[(3,5,8-trimethyladamantanyl)carbonylamino]butanoate (CAS 1009412-26-3), with molecular formula C20H33NO3 and molecular weight 335.25 g/mol. IUPAC: methyl 3-methyl-2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]butanoate.
Chemical Property Profile of Methyl 3-methyl-2-[(3,5,8-trimethyladamantanyl)carbonylamino]butanoate
Property Insights of Methyl 3-methyl-2-[(3,5,8-trimethyladamantanyl)carbonylamino]butanoate
The XLogP value of 3.6869 indicates that Methyl 3-methyl-2-[(3,5,8-trimethyladamantanyl)carbonylamino]butanoate 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-methyl-2-[(3,5,8-trimethyladamantanyl)carbonylamino]butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-methyl-2-[(3,5,8-trimethyladamantanyl)carbonylamino]butanoate has 1 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 3-methyl-2-[(3,5,8-trimethyladamantanyl)carbonylamino]butanoate?
The CAS number of Methyl 3-methyl-2-[(3,5,8-trimethyladamantanyl)carbonylamino]butanoate is 1009412-26-3.
What is the molecular formula of Methyl 3-methyl-2-[(3,5,8-trimethyladamantanyl)carbonylamino]butanoate?
The molecular formula of Methyl 3-methyl-2-[(3,5,8-trimethyladamantanyl)carbonylamino]butanoate is C20H33NO3.
What is the molecular weight of Methyl 3-methyl-2-[(3,5,8-trimethyladamantanyl)carbonylamino]butanoate?
The molecular weight of Methyl 3-methyl-2-[(3,5,8-trimethyladamantanyl)carbonylamino]butanoate is 335.25 g/mol.
Where can I buy Methyl 3-methyl-2-[(3,5,8-trimethyladamantanyl)carbonylamino]butanoate?
You can request a quote for Methyl 3-methyl-2-[(3,5,8-trimethyladamantanyl)carbonylamino]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methyl-2-[(3,5,8-trimethyladamantanyl)carbonylamino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methyl-2-[(3,5,8-trimethyladamantanyl)carbonylamino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.