F0535-0995
TL;DR: F0535-0995 (CAS 449766-82-9) is a chemical compound with molecular formula C28H29ClN2O6 and molecular weight 524.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(3-chlorophenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
Also Known As: F0535-0995, ethyl 4-((2-((3-chlorophenyl)carbamoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy)benzoate, ethyl 4-({2-[(3-chlorophenyl)carbamoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate, ethyl 4-[[2-[(3-chlorophenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate, ethyl p-{[6,7-dimethoxy-2-(N-m-chlorophenylcarbamoyl)-1,2,3,4-tetrahydro-1-isoquinolyl]methoxy}benzoate
| Molecular Formula | C28H29ClN2O6 |
|---|---|
| Molecular Weight | 524.17 g/mol |
| LogP | 5.7442 |
| Topological Polar Surface Area | 86.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 524.1714 |
| Heavy Atoms | 37 |
| Complexity | 1264.0272 |
Chemical Identifiers
| CAS Number | 449766-82-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)NC4=CC(=CC=C4)Cl)OC)OC |
Product Overview
F0535-0995 (CAS 449766-82-9), with molecular formula C28H29ClN2O6 and molecular weight 524.17 g/mol. IUPAC: ethyl 4-[[2-[(3-chlorophenyl)carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate.
Chemical Property Profile of F0535-0995
Property Insights of F0535-0995
The XLogP value of 5.7442 indicates that F0535-0995 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.33 Ų falls within the moderate polarity range, balancing permeability and solubility for F0535-0995. Following Lipinski's Rule of Five, F0535-0995 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0535-0995?
The CAS number of F0535-0995 is 449766-82-9.
What is the molecular formula of F0535-0995?
The molecular formula of F0535-0995 is C28H29ClN2O6.
What is the molecular weight of F0535-0995?
The molecular weight of F0535-0995 is 524.17 g/mol.
Where can I buy F0535-0995?
You can request a quote for F0535-0995 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0535-0995?
Yes, KEHONG BIO provides custom synthesis services for F0535-0995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.