Opera_ID_63
TL;DR: Opera_ID_63 (CAS 833438-17-8) is a chemical compound with molecular formula C16H20N2O3 and molecular weight 288.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,7-trimethyl-3-oxo-N-(pyridin-2-ylmethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Also Known As: 4,7,7-trimethyl-3-oxo-N-(2-pyridinylmethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide, 1,7,7-trimethyl-2-oxo-N-(pyridin-2-ylmethyl)-3-oxabicyclo[2.2.1]heptane-4-carboxamide, 4,7,7-trimethyl-3-oxo-N-(pyridin-2-ylmethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide, N-(2-pyridylmethyl)(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptyl)carboxamid e, (1S,4S)-4,7,7-TRIMETHYL-3-OXO-N-(PYRIDIN-2-YLMETHYL)-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXAMIDE
| Molecular Formula | C16H20N2O3 |
|---|---|
| Molecular Weight | 288.15 g/mol |
| LogP | 1.8197 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.1474 |
| Heavy Atoms | 21 |
| Complexity | 598.7995 |
Chemical Identifiers
| CAS Number | 833438-17-8 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)NCC3=CC=CC=N3)C)C |
Product Overview
Opera_ID_63 (CAS 833438-17-8), with molecular formula C16H20N2O3 and molecular weight 288.15 g/mol. IUPAC: 4,7,7-trimethyl-3-oxo-N-(pyridin-2-ylmethyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of Opera_ID_63
Property Insights of Opera_ID_63
The XLogP value of 1.8197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Opera_ID_63. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Opera_ID_63. Following Lipinski's Rule of Five, Opera_ID_63 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 Opera_ID_63?
The CAS number of Opera_ID_63 is 833438-17-8.
What is the molecular formula of Opera_ID_63?
The molecular formula of Opera_ID_63 is C16H20N2O3.
What is the molecular weight of Opera_ID_63?
The molecular weight of Opera_ID_63 is 288.15 g/mol.
Where can I buy Opera_ID_63?
You can request a quote for Opera_ID_63 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_63?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_63 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.