![1-[2,5-Dihydroxy-3-(4-methylbenzene-1-sulfonyl)phenyl]ethan-1-one structure](/static/products/5945/5945-65-3.webp)
1-[2,5-Dihydroxy-3-(4-methylbenzene-1-sulfonyl)phenyl]ethan-1-one
TL;DR: 1-[2,5-Dihydroxy-3-(4-methylbenzene-1-sulfonyl)phenyl]ethan-1-one (CAS 5945-65-3) is a chemical compound with molecular formula C15H14O5S and molecular weight 306.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,5-dihydroxy-3-(4-methylphenyl)sulfonylphenyl]ethanone
Also Known As: BIM-0038633.P001, 1-[2,5-Dihydroxy-3-(4-methylbenzene-1-sulfonyl)phenyl]ethan-1-one, 1-[2,5-dihydroxy-3-(4-methylphenyl)sulfonylphenyl]ethanone
| Molecular Formula | C15H14O5S |
|---|---|
| Molecular Weight | 306.06 g/mol |
| LogP | 2.44162 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.05618 |
| Heavy Atoms | 21 |
| Complexity | 804.70276 |
Chemical Identifiers
| CAS Number | 5945-65-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CC(=CC(=C2O)C(=O)C)O |
Product Overview
1-[2,5-Dihydroxy-3-(4-methylbenzene-1-sulfonyl)phenyl]ethan-1-one (CAS 5945-65-3), with molecular formula C15H14O5S and molecular weight 306.06 g/mol. IUPAC: 1-[2,5-dihydroxy-3-(4-methylphenyl)sulfonylphenyl]ethanone.
Chemical Property Profile of 1-[2,5-Dihydroxy-3-(4-methylbenzene-1-sulfonyl)phenyl]ethan-1-one
Property Insights of 1-[2,5-Dihydroxy-3-(4-methylbenzene-1-sulfonyl)phenyl]ethan-1-one
The XLogP value of 2.44162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2,5-Dihydroxy-3-(4-methylbenzene-1-sulfonyl)phenyl]ethan-1-one. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2,5-Dihydroxy-3-(4-methylbenzene-1-sulfonyl)phenyl]ethan-1-one. Following Lipinski's Rule of Five, 1-[2,5-Dihydroxy-3-(4-methylbenzene-1-sulfonyl)phenyl]ethan-1-one has 2 hydrogen bond donor(s) and 5 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 1-[2,5-Dihydroxy-3-(4-methylbenzene-1-sulfonyl)phenyl]ethan-1-one?
The CAS number of 1-[2,5-Dihydroxy-3-(4-methylbenzene-1-sulfonyl)phenyl]ethan-1-one is 5945-65-3.
What is the molecular formula of 1-[2,5-Dihydroxy-3-(4-methylbenzene-1-sulfonyl)phenyl]ethan-1-one?
The molecular formula of 1-[2,5-Dihydroxy-3-(4-methylbenzene-1-sulfonyl)phenyl]ethan-1-one is C15H14O5S.
What is the molecular weight of 1-[2,5-Dihydroxy-3-(4-methylbenzene-1-sulfonyl)phenyl]ethan-1-one?
The molecular weight of 1-[2,5-Dihydroxy-3-(4-methylbenzene-1-sulfonyl)phenyl]ethan-1-one is 306.06 g/mol.
Where can I buy 1-[2,5-Dihydroxy-3-(4-methylbenzene-1-sulfonyl)phenyl]ethan-1-one?
You can request a quote for 1-[2,5-Dihydroxy-3-(4-methylbenzene-1-sulfonyl)phenyl]ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2,5-Dihydroxy-3-(4-methylbenzene-1-sulfonyl)phenyl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[2,5-Dihydroxy-3-(4-methylbenzene-1-sulfonyl)phenyl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.