(R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate)
TL;DR: (R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate) (CAS 99520-82-8) is a chemical compound with molecular formula C18H22O7S2 and molecular weight 414.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-3-hydroxy-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate
Also Known As: (S)-1,4-DITOSYL-2-BUTANOL, (2S)-1,4-bis-(4-methylphenyl)sulfonyloxybutan-2-ol, I14-39245, (R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate), [(3S)-3-hydroxy-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate
| Molecular Formula | C18H22O7S2 |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 2.16524 |
| Topological Polar Surface Area | 106.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 414.0807 |
| Heavy Atoms | 27 |
| Complexity | 947.77466 |
Chemical Identifiers
| CAS Number | 99520-82-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC[C@@H](COS(=O)(=O)C2=CC=C(C=C2)C)O |
Product Overview
(R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate) (CAS 99520-82-8), with molecular formula C18H22O7S2 and molecular weight 414.08 g/mol. IUPAC: [(3S)-3-hydroxy-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate.
Chemical Property Profile of (R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate)
Property Insights of (R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate)
The XLogP value of 2.16524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate). The TPSA of 106.97 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate). Following Lipinski's Rule of Five, (R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate) has 1 hydrogen bond donor(s) and 7 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 (R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate)?
The CAS number of (R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate) is 99520-82-8.
What is the molecular formula of (R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate)?
The molecular formula of (R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate) is C18H22O7S2.
What is the molecular weight of (R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate)?
The molecular weight of (R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate) is 414.08 g/mol.
Where can I buy (R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate)?
You can request a quote for (R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for (R)-2-Hydroxybutane-1,4-diyl bis(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.