p-Cumenesulfonic acid, thio-, S,S-(2-(dimethylamino)trimethylene) ester
TL;DR: p-Cumenesulfonic acid, thio-, S,S-(2-(dimethylamino)trimethylene) ester (CAS 30128-95-1) is a chemical compound with molecular formula C23H33NO4S4 and molecular weight 515.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-(dimethylamino)-3-[4-(1-sulfanylpropan-2-yl)phenyl]sulfonylpropyl]sulfonylphenyl]propane-1-thiol
Also Known As: p-Cumenethiosulfonic acid S,S-(2-(dimethylamino)trimethylene) ester, p-Cumenesulfonic acid, thio-, S,S-(2-(dimethylamino)trimethylene) ester, 2,2'-{[2-(Dimethylamino)propane-1,3-diyl]bis(sulfonyl-4,1-phenylene)}di(propane-1-thiol), 2,2'-{[2-(Dimethylamino)propane-1,3-diyl]bis(sulfonyl-4,1-phenylene)}di(propane-1-thiolato), 2-[4-[2-(dimethylamino)-3-[4-(1-sulfanylpropan-2-yl)phenyl]sulfonylpropyl]sulfonylphenyl]propane-1-thiol
| Molecular Formula | C23H33NO4S4 |
|---|---|
| Molecular Weight | 515.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 515.1293 |
| Heavy Atoms | 32 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 30128-95-1 |
|---|---|
| SMILES | CC(CS)C1=CC=C(C=C1)S(=O)(=O)CC(CS(=O)(=O)C2=CC=C(C=C2)C(C)CS)N(C)C |
| InChIKey | UMNZULVAXBFNFN-UHFFFAOYSA-N |
Product Overview
p-Cumenesulfonic acid, thio-, S,S-(2-(dimethylamino)trimethylene) ester (CAS 30128-95-1), with molecular formula C23H33NO4S4 and molecular weight 515.13 g/mol. IUPAC: 2-[4-[2-(dimethylamino)-3-[4-(1-sulfanylpropan-2-yl)phenyl]sulfonylpropyl]sulfonylphenyl]propane-1-thiol.
Chemical Property Profile of p-Cumenesulfonic acid, thio-, S,S-(2-(dimethylamino)trimethylene) ester
Property Insights of p-Cumenesulfonic acid, thio-, S,S-(2-(dimethylamino)trimethylene) ester
The XLogP value of 4.0 indicates that p-Cumenesulfonic acid, thio-, S,S-(2-(dimethylamino)trimethylene) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Cumenesulfonic acid, thio-, S,S-(2-(dimethylamino)trimethylene) ester. Following Lipinski's Rule of Five, p-Cumenesulfonic acid, thio-, S,S-(2-(dimethylamino)trimethylene) ester has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of p-Cumenesulfonic acid, thio-, S,S-(2-(dimethylamino)trimethylene) ester?
The CAS number of p-Cumenesulfonic acid, thio-, S,S-(2-(dimethylamino)trimethylene) ester is 30128-95-1.
What is the molecular formula of p-Cumenesulfonic acid, thio-, S,S-(2-(dimethylamino)trimethylene) ester?
The molecular formula of p-Cumenesulfonic acid, thio-, S,S-(2-(dimethylamino)trimethylene) ester is C23H33NO4S4.
What is the molecular weight of p-Cumenesulfonic acid, thio-, S,S-(2-(dimethylamino)trimethylene) ester?
The molecular weight of p-Cumenesulfonic acid, thio-, S,S-(2-(dimethylamino)trimethylene) ester is 515.13 g/mol.
Where can I buy p-Cumenesulfonic acid, thio-, S,S-(2-(dimethylamino)trimethylene) ester?
You can request a quote for p-Cumenesulfonic acid, thio-, S,S-(2-(dimethylamino)trimethylene) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Cumenesulfonic acid, thio-, S,S-(2-(dimethylamino)trimethylene) ester?
Yes, KEHONG BIO provides custom synthesis services for p-Cumenesulfonic acid, thio-, S,S-(2-(dimethylamino)trimethylene) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.