(S)-methyl 2-((3S,5S,7S)-adamantane-1-carboxamido)-3-methylbutanoate
TL;DR: (S)-methyl 2-((3S,5S,7S)-adamantane-1-carboxamido)-3-methylbutanoate (CAS 302333-60-4) is a chemical compound with molecular formula C17H27NO3 and molecular weight 293.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-(adamantane-1-carbonylamino)-3-methylbutanoate
Also Known As: methyl (2S)-2-(adamantane-1-carbonylamino)-3-methylbutanoate, (S)-methyl 2-((3S,5S,7S)-adamantane-1-carboxamido)-3-methylbutanoate
| Molecular Formula | C17H27NO3 |
|---|---|
| Molecular Weight | 293.20 g/mol |
| LogP | 2.5166 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.1991 |
| Heavy Atoms | 21 |
| Complexity | 408.03195 |
Chemical Identifiers
| CAS Number | 302333-60-4 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OC)NC(=O)C12CC3CC(C1)CC(C3)C2 |
Product Overview
(S)-methyl 2-((3S,5S,7S)-adamantane-1-carboxamido)-3-methylbutanoate (CAS 302333-60-4), with molecular formula C17H27NO3 and molecular weight 293.20 g/mol. IUPAC: methyl (2S)-2-(adamantane-1-carbonylamino)-3-methylbutanoate.
Chemical Property Profile of (S)-methyl 2-((3S,5S,7S)-adamantane-1-carboxamido)-3-methylbutanoate
Property Insights of (S)-methyl 2-((3S,5S,7S)-adamantane-1-carboxamido)-3-methylbutanoate
The XLogP value of 2.5166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-((3S,5S,7S)-adamantane-1-carboxamido)-3-methylbutanoate. With a topological polar surface area (TPSA) of 55.4 Ų, (S)-methyl 2-((3S,5S,7S)-adamantane-1-carboxamido)-3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-methyl 2-((3S,5S,7S)-adamantane-1-carboxamido)-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 (S)-methyl 2-((3S,5S,7S)-adamantane-1-carboxamido)-3-methylbutanoate?
The CAS number of (S)-methyl 2-((3S,5S,7S)-adamantane-1-carboxamido)-3-methylbutanoate is 302333-60-4.
What is the molecular formula of (S)-methyl 2-((3S,5S,7S)-adamantane-1-carboxamido)-3-methylbutanoate?
The molecular formula of (S)-methyl 2-((3S,5S,7S)-adamantane-1-carboxamido)-3-methylbutanoate is C17H27NO3.
What is the molecular weight of (S)-methyl 2-((3S,5S,7S)-adamantane-1-carboxamido)-3-methylbutanoate?
The molecular weight of (S)-methyl 2-((3S,5S,7S)-adamantane-1-carboxamido)-3-methylbutanoate is 293.20 g/mol.
Where can I buy (S)-methyl 2-((3S,5S,7S)-adamantane-1-carboxamido)-3-methylbutanoate?
You can request a quote for (S)-methyl 2-((3S,5S,7S)-adamantane-1-carboxamido)-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 2-((3S,5S,7S)-adamantane-1-carboxamido)-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-((3S,5S,7S)-adamantane-1-carboxamido)-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.