IFLab1_005451
TL;DR: IFLab1_005451 (CAS 613658-90-5) is a chemical compound with molecular formula C15H17BrN2O3 and molecular weight 352.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-bromo-2-pyridinyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Also Known As: IFLab1_005451, IDI1_010854, N-(5-bromopyridin-2-yl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide, N-(5-bromo(2-pyridyl))(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptyl)carboxa mide, N-(5-bromopyridin-2-yl)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide
| Molecular Formula | C15H17BrN2O3 |
|---|---|
| Molecular Weight | 352.04 g/mol |
| LogP | 2.9045 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.04224 |
| Heavy Atoms | 21 |
| Complexity | 628.31085 |
Chemical Identifiers
| CAS Number | 613658-90-5 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)NC3=NC=C(C=C3)Br)C)C |
Product Overview
IFLab1_005451 (CAS 613658-90-5), with molecular formula C15H17BrN2O3 and molecular weight 352.04 g/mol. IUPAC: N-(5-bromo-2-pyridinyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of IFLab1_005451
Property Insights of IFLab1_005451
The XLogP value of 2.9045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005451. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005451. Following Lipinski's Rule of Five, IFLab1_005451 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 IFLab1_005451?
The CAS number of IFLab1_005451 is 613658-90-5.
What is the molecular formula of IFLab1_005451?
The molecular formula of IFLab1_005451 is C15H17BrN2O3.
What is the molecular weight of IFLab1_005451?
The molecular weight of IFLab1_005451 is 352.04 g/mol.
Where can I buy IFLab1_005451?
You can request a quote for IFLab1_005451 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005451?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005451 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.