J1.472.736A
TL;DR: J1.472.736A (CAS 162704-20-3) is a chemical compound with molecular formula C23H24N2O7S and molecular weight 472.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[(3S,4R)-3-hydroxy-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-4H-chromen-4-yl]oxy]-2-methylpyridazin-3-one
Also Known As: J1.472.736A, 6-[[(3S,4R)-3-hydroxy-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-4H-chromen-4-yl]oxy]-2-methylpyridazin-3-one, 3(2H)-Pyridazinone, 6-(((3S,4R)-3,4-dihydro-3-hydroxy-6-((3-hydroxyphenyl)sulfonyl)-2,2,3-trimethyl-2H-1-benzopyran-4-yl)oxy)-2-methyl-, 3(2H)-Pyridazinone, 6-((3,4-dihydro-3-hydroxy-6-((3-hydroxyphenyl)sulfonyl)-2,2,3-trimethyl-2H-1-benzopyran-4-yl)oxy)-2-methyl-, (3S-trans)-, 6-(((3S,4R)-3,4-Dihydro-3-hydroxy-6-((3-hydroxyphenyl)sulfonyl)-2,2,3-trimethyl-2H-1-benzopyran-4-yl)oxy)-2-methyl-3(2H)-pyridazinone
| Molecular Formula | C23H24N2O7S |
|---|---|
| Molecular Weight | 472.13 g/mol |
| LogP | 2.3608 |
| Topological Polar Surface Area | 127.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.13043 |
| Heavy Atoms | 33 |
| Complexity | 1393.9141 |
Chemical Identifiers
| CAS Number | 162704-20-3 |
|---|---|
| SMILES | C[C@@]1([C@@H](C2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC(=C3)O)OC1(C)C)OC4=NN(C(=O)C=C4)C)O |
Product Overview
J1.472.736A (CAS 162704-20-3), with molecular formula C23H24N2O7S and molecular weight 472.13 g/mol. IUPAC: 6-[[(3S,4R)-3-hydroxy-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-4H-chromen-4-yl]oxy]-2-methylpyridazin-3-one.
Chemical Property Profile of J1.472.736A
Property Insights of J1.472.736A
The XLogP value of 2.3608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.472.736A. The TPSA of 127.95 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.472.736A. Following Lipinski's Rule of Five, J1.472.736A has 2 hydrogen bond donor(s) and 8 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 J1.472.736A?
The CAS number of J1.472.736A is 162704-20-3.
What is the molecular formula of J1.472.736A?
The molecular formula of J1.472.736A is C23H24N2O7S.
What is the molecular weight of J1.472.736A?
The molecular weight of J1.472.736A is 472.13 g/mol.
Where can I buy J1.472.736A?
You can request a quote for J1.472.736A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.472.736A?
Yes, KEHONG BIO provides custom synthesis services for J1.472.736A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.