![3-[2-(4-Tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one structure](/static/products/896/896381-48-9.png)
3-[2-(4-Tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one
TL;DR: 3-[2-(4-Tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one (CAS 896381-48-9) is a chemical compound with molecular formula C22H22O6S and molecular weight 414.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one
Also Known As: VU0511393-1, 3-[2-(4-tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one, 3-[2-(4-tert-butylphenyl)sulfonylacetyl]-8-methoxy-coumarin, 3-[2-(4-tert-butylphenyl)sulfonylethanoyl]-8-methoxy-chromen-2-one, 3-(2-((4-(tert-butyl)phenyl)sulfonyl)acetyl)-8-methoxy-2H-chromen-2-one
| Molecular Formula | C22H22O6S |
|---|---|
| Molecular Weight | 414.11 g/mol |
| LogP | 3.7557 |
| Topological Polar Surface Area | 90.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.1137 |
| Heavy Atoms | 29 |
| Complexity | 1229.0181 |
Chemical Identifiers
| CAS Number | 896381-48-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC3=C(C(=CC=C3)OC)OC2=O |
Product Overview
3-[2-(4-Tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one (CAS 896381-48-9), with molecular formula C22H22O6S and molecular weight 414.11 g/mol. IUPAC: 3-[2-(4-tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one.
Chemical Property Profile of 3-[2-(4-Tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one
Property Insights of 3-[2-(4-Tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one
The XLogP value of 3.7557 indicates that 3-[2-(4-Tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(4-Tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one. Following Lipinski's Rule of Five, 3-[2-(4-Tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one 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 3-[2-(4-Tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one?
The CAS number of 3-[2-(4-Tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one is 896381-48-9.
What is the molecular formula of 3-[2-(4-Tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one?
The molecular formula of 3-[2-(4-Tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one is C22H22O6S.
What is the molecular weight of 3-[2-(4-Tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one?
The molecular weight of 3-[2-(4-Tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one is 414.11 g/mol.
Where can I buy 3-[2-(4-Tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one?
You can request a quote for 3-[2-(4-Tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(4-Tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(4-Tert-butylphenyl)sulfonylacetyl]-8-methoxychromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.