3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol
TL;DR: 3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol (CAS 63991-87-7) is a chemical compound with molecular formula C10H14O4S and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)sulfonylpropane-1,2-diol
Also Known As: 3-Tosylpropane-1,2-diol, 3-(p-Tolylsulfonyl)-1,2-propanediol, 1,2-Propanediol, 3-(p-tolylsulfonyl)-, 3-(4-methylphenyl)sulfonylpropane-1,2-diol, 3-[(4-methylphenyl)sulfonyl]propane-1,2-diol
| Molecular Formula | C10H14O4S |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.06128 |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 63991-87-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(CO)O |
| InChIKey | HAEAJIXAMUMSFQ-UHFFFAOYSA-N |
Product Overview
3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol (CAS 63991-87-7), with molecular formula C10H14O4S and molecular weight 230.06 g/mol. IUPAC: 3-(4-methylphenyl)sulfonylpropane-1,2-diol.
Chemical Property Profile of 3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol
Property Insights of 3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol. Following Lipinski's Rule of Five, 3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol has 2 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 3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol?
The CAS number of 3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol is 63991-87-7.
What is the molecular formula of 3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol?
The molecular formula of 3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol is C10H14O4S.
What is the molecular weight of 3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol?
The molecular weight of 3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol is 230.06 g/mol.
Where can I buy 3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol?
You can request a quote for 3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.