N-((3s,5s,7s)-adamantan-1-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
TL;DR: N-((3s,5s,7s)-adamantan-1-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide (CAS 672895-08-8) is a chemical compound with molecular formula C18H23NO3 and molecular weight 301.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
Also Known As: N-(1-adamantyl)-2,4-dimethyl-6-oxopyran-3-carboxamide, N-((3s,5s,7s)-adamantan-1-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide, 4,6-dimethyl-2-oxo-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-2H-pyran-5-carboxamide
| Molecular Formula | C18H23NO3 |
|---|---|
| Molecular Weight | 301.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.1678 |
| Heavy Atoms | 22 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 672895-08-8 |
|---|---|
| SMILES | CC1=CC(=O)OC(=C1C(=O)NC23CC4CC(C2)CC(C4)C3)C |
| InChIKey | MGPFQGKEMQOCDJ-UHFFFAOYSA-N |
Product Overview
N-((3s,5s,7s)-adamantan-1-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide (CAS 672895-08-8), with molecular formula C18H23NO3 and molecular weight 301.17 g/mol. IUPAC: N-(1-adamantyl)-2,4-dimethyl-6-oxopyran-3-carboxamide.
Chemical Property Profile of N-((3s,5s,7s)-adamantan-1-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
Property Insights of N-((3s,5s,7s)-adamantan-1-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((3s,5s,7s)-adamantan-1-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide. With a topological polar surface area (TPSA) of 55.4 Ų, N-((3s,5s,7s)-adamantan-1-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-((3s,5s,7s)-adamantan-1-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide 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 N-((3s,5s,7s)-adamantan-1-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide?
The CAS number of N-((3s,5s,7s)-adamantan-1-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide is 672895-08-8.
What is the molecular formula of N-((3s,5s,7s)-adamantan-1-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide?
The molecular formula of N-((3s,5s,7s)-adamantan-1-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide is C18H23NO3.
What is the molecular weight of N-((3s,5s,7s)-adamantan-1-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide?
The molecular weight of N-((3s,5s,7s)-adamantan-1-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide is 301.17 g/mol.
Where can I buy N-((3s,5s,7s)-adamantan-1-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide?
You can request a quote for N-((3s,5s,7s)-adamantan-1-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((3s,5s,7s)-adamantan-1-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-((3s,5s,7s)-adamantan-1-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.