AB00680049-01
TL;DR: AB00680049-01 (CAS 898418-30-9) is a chemical compound with molecular formula C22H21NO6 and molecular weight 395.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]furan-2-carboxylate
Also Known As: AB00680049-01, F2617-1156, methyl 5-(((6-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)methyl)furan-2-carboxylate, methyl 5-({4-oxo-6-[(1,2,3,4-tetrahydro-2-isoquinolyl)methyl]-4H-pyran-3-yloxy}methyl)-2-furoate, methyl 5-[[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]furan-2-carboxylate
| Molecular Formula | C22H21NO6 |
|---|---|
| Molecular Weight | 395.14 g/mol |
| LogP | 3.1567 |
| Topological Polar Surface Area | 82.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.1369 |
| Heavy Atoms | 29 |
| Complexity | 1066.9146 |
Chemical Identifiers
| CAS Number | 898418-30-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)COC2=COC(=CC2=O)CN3CCC4=CC=CC=C4C3 |
Product Overview
AB00680049-01 (CAS 898418-30-9), with molecular formula C22H21NO6 and molecular weight 395.14 g/mol. IUPAC: methyl 5-[[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]furan-2-carboxylate.
Chemical Property Profile of AB00680049-01
Property Insights of AB00680049-01
The XLogP value of 3.1567 indicates that AB00680049-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680049-01. Following Lipinski's Rule of Five, AB00680049-01 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 AB00680049-01?
The CAS number of AB00680049-01 is 898418-30-9.
What is the molecular formula of AB00680049-01?
The molecular formula of AB00680049-01 is C22H21NO6.
What is the molecular weight of AB00680049-01?
The molecular weight of AB00680049-01 is 395.14 g/mol.
Where can I buy AB00680049-01?
You can request a quote for AB00680049-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680049-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680049-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.