IFLab1_004097
TL;DR: IFLab1_004097 (CAS 303228-35-5) is a chemical compound with molecular formula C19H23NO3 and molecular weight 313.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
Also Known As: IFLab1_004097, AF-399/37336002, 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-one, 1-(3,4-DIHYDRO-2(1H)-ISOQUINOLINYLCARBONYL)-4,7,7-TRIMETHYL-2-OXABICYCLO[2.2.1]HEPTAN-3-ONE, (1R,4S)-4,7,7-trimethyl-1-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-2-oxabicyclo[2.2.1]heptan-3-one
| Molecular Formula | C19H23NO3 |
|---|---|
| Molecular Weight | 313.17 g/mol |
| LogP | 2.6932 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.1678 |
| Heavy Atoms | 23 |
| Complexity | 710.3212 |
Chemical Identifiers
| CAS Number | 303228-35-5 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)N3CCC4=CC=CC=C4C3)C)C |
Product Overview
IFLab1_004097 (CAS 303228-35-5), with molecular formula C19H23NO3 and molecular weight 313.17 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one.
Chemical Property Profile of IFLab1_004097
Property Insights of IFLab1_004097
The XLogP value of 2.6932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_004097. With a topological polar surface area (TPSA) of 46.61 Ų, IFLab1_004097 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_004097 has 0 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 IFLab1_004097?
The CAS number of IFLab1_004097 is 303228-35-5.
What is the molecular formula of IFLab1_004097?
The molecular formula of IFLab1_004097 is C19H23NO3.
What is the molecular weight of IFLab1_004097?
The molecular weight of IFLab1_004097 is 313.17 g/mol.
Where can I buy IFLab1_004097?
You can request a quote for IFLab1_004097 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004097?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004097 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.