C35H36ClNO5
TL;DR: C35H36ClNO5 (CAS 1005135-76-1) is a chemical compound with molecular formula C35H36ClNO5 and molecular weight 585.2282 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-7-[2-[1-(4-chlorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethoxy]-4,8-dimethylchromen-2-one
Also Known As: 3-benzyl-7-[2-[1-(4-chlorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethoxy]-4,8-dimethylchromen-2-one, 3-benzyl-7-{2-[1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-oxoethoxy}-4,8-dimethyl-2H-chromen-2-one, C35H36ClNO5
Technical Specifications
| Molecular Formula | C35H36ClNO5 |
| Molecular Weight | 585.2282 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 585.2282 Da |
| Heavy Atoms | 42 |
| Complexity | 1020.0 |
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC4(CCCCC4C3C5=CC=C(C=C5)Cl)O)CC6=CC=CC=C6 |
| InChIKey | MESXQYPVOTYEMT-UHFFFAOYSA-N |
Chemical Property Profile of C35H36ClNO5
Property Insights of C35H36ClNO5
The XLogP value of 6.8 indicates that C35H36ClNO5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for C35H36ClNO5. Following Lipinski's Rule of Five, C35H36ClNO5 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C35H36ClNO5?
The CAS number of C35H36ClNO5 is 1005135-76-1.
What is the molecular formula of C35H36ClNO5?
The molecular formula of C35H36ClNO5 is C35H36ClNO5.
What is the molecular weight of C35H36ClNO5?
The molecular weight of C35H36ClNO5 is 585.2282 g/mol.
Where can I buy C35H36ClNO5?
You can request a quote for C35H36ClNO5 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C35H36ClNO5?
Yes, CoreyChem provides custom synthesis services for C35H36ClNO5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.