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Methyl 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoate
TL;DR: Methyl 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoate (CAS 1008922-67-5) is a chemical compound with molecular formula C18H29NO3 and molecular weight 307.21 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-methylbutanoate
Also Known As: methyl N-(1-adamantylacetyl)valinate, methyl 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoate, methyl 2-[[2-(1-adamantyl)acetyl]amino]-3-methylbutanoate
| Molecular Formula | C18H29NO3 |
|---|---|
| Molecular Weight | 307.21 g/mol |
| LogP | 2.9067 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.21475 |
| Heavy Atoms | 22 |
| Complexity | 421.96442 |
Chemical Identifiers
| CAS Number | 1008922-67-5 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)NC(=O)CC12CC3CC(C1)CC(C3)C2 |
Product Overview
Methyl 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoate (CAS 1008922-67-5), with molecular formula C18H29NO3 and molecular weight 307.21 g/mol. IUPAC: methyl 2-[[2-(1-adamantyl)acetyl]amino]-3-methylbutanoate.
Chemical Property Profile of Methyl 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoate
Property Insights of Methyl 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoate
The XLogP value of 2.9067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoate 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 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoate?
The CAS number of Methyl 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoate is 1008922-67-5.
What is the molecular formula of Methyl 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoate?
The molecular formula of Methyl 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoate is C18H29NO3.
What is the molecular weight of Methyl 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoate?
The molecular weight of Methyl 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoate is 307.21 g/mol.
Where can I buy Methyl 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoate?
You can request a quote for Methyl 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[2-(adamantan-1-yl)acetamido]-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.