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1-[(4-Methylphenyl)sulfanyl]-3-(phenylsulfonyl)-2-propanol
TL;DR: 1-[(4-Methylphenyl)sulfanyl]-3-(phenylsulfonyl)-2-propanol (CAS 338409-60-2) is a chemical compound with molecular formula C16H18O3S2 and molecular weight 322.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
Also Known As: 3H-460S, 1-[(4-methylphenyl)sulfanyl]-3-(phenylsulfonyl)-2-propanol, 1-(benzenesulfonyl)-3-(4-methylphenyl)sulfanylpropan-2-ol, 1-(benzenesulfonyl)-3-[(4-methylphenyl)sulfanyl]propan-2-ol
| Molecular Formula | C16H18O3S2 |
|---|---|
| Molecular Weight | 322.07 g/mol |
| LogP | 2.92192 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.06973 |
| Heavy Atoms | 21 |
| Complexity | 664.4281 |
Chemical Identifiers
| CAS Number | 338409-60-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC(CS(=O)(=O)C2=CC=CC=C2)O |
Product Overview
1-[(4-Methylphenyl)sulfanyl]-3-(phenylsulfonyl)-2-propanol (CAS 338409-60-2), with molecular formula C16H18O3S2 and molecular weight 322.07 g/mol. IUPAC: 1-(benzenesulfonyl)-3-(4-methylphenyl)sulfanylpropan-2-ol.
Chemical Property Profile of 1-[(4-Methylphenyl)sulfanyl]-3-(phenylsulfonyl)-2-propanol
Property Insights of 1-[(4-Methylphenyl)sulfanyl]-3-(phenylsulfonyl)-2-propanol
The XLogP value of 2.92192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-Methylphenyl)sulfanyl]-3-(phenylsulfonyl)-2-propanol. With a topological polar surface area (TPSA) of 54.37 Ų, 1-[(4-Methylphenyl)sulfanyl]-3-(phenylsulfonyl)-2-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-Methylphenyl)sulfanyl]-3-(phenylsulfonyl)-2-propanol has 1 hydrogen bond donor(s) and 4 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-[(4-Methylphenyl)sulfanyl]-3-(phenylsulfonyl)-2-propanol?
The CAS number of 1-[(4-Methylphenyl)sulfanyl]-3-(phenylsulfonyl)-2-propanol is 338409-60-2.
What is the molecular formula of 1-[(4-Methylphenyl)sulfanyl]-3-(phenylsulfonyl)-2-propanol?
The molecular formula of 1-[(4-Methylphenyl)sulfanyl]-3-(phenylsulfonyl)-2-propanol is C16H18O3S2.
What is the molecular weight of 1-[(4-Methylphenyl)sulfanyl]-3-(phenylsulfonyl)-2-propanol?
The molecular weight of 1-[(4-Methylphenyl)sulfanyl]-3-(phenylsulfonyl)-2-propanol is 322.07 g/mol.
Where can I buy 1-[(4-Methylphenyl)sulfanyl]-3-(phenylsulfonyl)-2-propanol?
You can request a quote for 1-[(4-Methylphenyl)sulfanyl]-3-(phenylsulfonyl)-2-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-Methylphenyl)sulfanyl]-3-(phenylsulfonyl)-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Methylphenyl)sulfanyl]-3-(phenylsulfonyl)-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.