F0535-0698
TL;DR: F0535-0698 (CAS 449766-18-1) is a chemical compound with molecular formula C29H31N3O8S and molecular weight 581.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
Also Known As: F0535-0698, (6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone, 6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-2-[4-(pyrrolidine-1-sulfonyl)benzoyl]-1,2,3,4-tetrahydroisoquinoline, [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone, p-({6,7-dimethoxy-1-[(p-nitrophenoxy)methyl]-1,2,3,4-tetrahydro-2-isoquinolyl}carbonyl)phenyl(oxo)-1-pyrrolidinyl-lambda-sulfaniumolate
| Molecular Formula | C29H31N3O8S |
|---|---|
| Molecular Weight | 581.18 g/mol |
| LogP | 4.2151 |
| Topological Polar Surface Area | 128.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 581.18317 |
| Heavy Atoms | 41 |
| Complexity | 1535.4764 |
Chemical Identifiers
| CAS Number | 449766-18-1 |
|---|---|
| SMILES | COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)COC5=CC=C(C=C5)[N+](=O)[O-])OC |
Product Overview
F0535-0698 (CAS 449766-18-1), with molecular formula C29H31N3O8S and molecular weight 581.18 g/mol. IUPAC: [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.
Chemical Property Profile of F0535-0698
Property Insights of F0535-0698
The XLogP value of 4.2151 indicates that F0535-0698 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.52 Ų falls within the moderate polarity range, balancing permeability and solubility for F0535-0698. Following Lipinski's Rule of Five, F0535-0698 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0535-0698?
The CAS number of F0535-0698 is 449766-18-1.
What is the molecular formula of F0535-0698?
The molecular formula of F0535-0698 is C29H31N3O8S.
What is the molecular weight of F0535-0698?
The molecular weight of F0535-0698 is 581.18 g/mol.
Where can I buy F0535-0698?
You can request a quote for F0535-0698 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0535-0698?
Yes, KEHONG BIO provides custom synthesis services for F0535-0698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.