AB00686202-01
TL;DR: AB00686202-01 (CAS 866347-67-3) is a chemical compound with molecular formula C25H22N2O6S and molecular weight 478.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]methyl]-4-methoxybenzaldehyde
Also Known As: AB00686202-01, F1602-0745, 4-methoxy-3-{[2-oxo-6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]methyl}benzaldehyde, 3-((6-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-2-oxobenzo[d]oxazol-3(2H)-yl)methyl)-4-methoxybenzaldehyde, 3-[[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]methyl]-4-methoxybenzaldehyde
| Molecular Formula | C25H22N2O6S |
|---|---|
| Molecular Weight | 478.12 g/mol |
| LogP | 3.2109 |
| Topological Polar Surface Area | 98.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.11984 |
| Heavy Atoms | 34 |
| Complexity | 1568.0715 |
Chemical Identifiers
| CAS Number | 866347-67-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)OC2=O |
Product Overview
AB00686202-01 (CAS 866347-67-3), with molecular formula C25H22N2O6S and molecular weight 478.12 g/mol. IUPAC: 3-[[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]methyl]-4-methoxybenzaldehyde.
Chemical Property Profile of AB00686202-01
Property Insights of AB00686202-01
The XLogP value of 3.2109 indicates that AB00686202-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686202-01. Following Lipinski's Rule of Five, AB00686202-01 has 0 hydrogen bond donor(s) and 6 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 AB00686202-01?
The CAS number of AB00686202-01 is 866347-67-3.
What is the molecular formula of AB00686202-01?
The molecular formula of AB00686202-01 is C25H22N2O6S.
What is the molecular weight of AB00686202-01?
The molecular weight of AB00686202-01 is 478.12 g/mol.
Where can I buy AB00686202-01?
You can request a quote for AB00686202-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686202-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686202-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.