AB00684400-01
TL;DR: AB00684400-01 (CAS 449765-57-5) is a chemical compound with molecular formula C23H22N2O7 and molecular weight 438.14 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]-(furan-2-yl)methanone
Also Known As: AB00684400-01, F0535-0618, 2-(furan-2-carbonyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline, (6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(furan-2-yl)methanone, [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(furan-2-yl)methanone
| Molecular Formula | C23H22N2O7 |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 4.0236 |
| Topological Polar Surface Area | 104.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.1427 |
| Heavy Atoms | 32 |
| Complexity | 1110.1285 |
Chemical Identifiers
| CAS Number | 449765-57-5 |
|---|---|
| SMILES | COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=CO3)COC4=CC=C(C=C4)[N+](=O)[O-])OC |
Product Overview
AB00684400-01 (CAS 449765-57-5), with molecular formula C23H22N2O7 and molecular weight 438.14 g/mol. IUPAC: [6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(furan-2-yl)methanone.
Chemical Property Profile of AB00684400-01
Property Insights of AB00684400-01
The XLogP value of 4.0236 indicates that AB00684400-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.28 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684400-01. Following Lipinski's Rule of Five, AB00684400-01 has 0 hydrogen bond donor(s) and 7 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 AB00684400-01?
The CAS number of AB00684400-01 is 449765-57-5.
What is the molecular formula of AB00684400-01?
The molecular formula of AB00684400-01 is C23H22N2O7.
What is the molecular weight of AB00684400-01?
The molecular weight of AB00684400-01 is 438.14 g/mol.
Where can I buy AB00684400-01?
You can request a quote for AB00684400-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684400-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684400-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.