C35H36ClNO5
TL;DR: C35H36ClNO5 (CAS 1005135-76-1) is a chemical compound with molecular formula C35H36ClNO5 and molecular weight 585.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C35H36ClNO5 |
|---|---|
| Molecular Weight | 585.23 g/mol |
| LogP | 6.92774 |
| Topological Polar Surface Area | 79.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 585.2282 |
| Heavy Atoms | 42 |
| Complexity | 1665.3612 |
Chemical Identifiers
| CAS Number | 1005135-76-1 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC4(CCCCC4C3C5=CC=C(C=C5)Cl)O)CC6=CC=CC=C6 |
Product Overview
C35H36ClNO5 (CAS 1005135-76-1), with molecular formula C35H36ClNO5 and molecular weight 585.23 g/mol. IUPAC: 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.
Chemical Property Profile of C35H36ClNO5
Property Insights of C35H36ClNO5
The XLogP value of 6.92774 indicates that C35H36ClNO5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.98 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
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 585.23 g/mol.
Where can I buy C35H36ClNO5?
You can request a quote for C35H36ClNO5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C35H36ClNO5?
Yes, KEHONG BIO provides custom synthesis services for C35H36ClNO5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.