Tert-butyl 3,3-bis(phenylsulfonyl)propanoate
TL;DR: Tert-butyl 3,3-bis(phenylsulfonyl)propanoate (CAS 40133-12-8) is a chemical compound with molecular formula C19H22O6S2 and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3,3-bis(benzenesulfonyl)propanoate
Also Known As: tert-butyl 3,3-bis(phenylsulfonyl)propanoate, tert-butyl 3,3-bis(benzenesulfonyl)propanoate, 2-bromo-1,2,3,4-tetrahydronaphthalen-1-ol, tert-Butyl 3,3-di(benzenesulfonyl)propanoate, 3,3-dibesylpropionic acid tert-butyl ester
| Molecular Formula | C19H22O6S2 |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.0858 |
| Heavy Atoms | 27 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 40133-12-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | YNHBIXOJTJRVCJ-UHFFFAOYSA-N |
Product Overview
Tert-butyl 3,3-bis(phenylsulfonyl)propanoate (CAS 40133-12-8), with molecular formula C19H22O6S2 and molecular weight 410.09 g/mol. IUPAC: tert-butyl 3,3-bis(benzenesulfonyl)propanoate.
Chemical Property Profile of Tert-butyl 3,3-bis(phenylsulfonyl)propanoate
Property Insights of Tert-butyl 3,3-bis(phenylsulfonyl)propanoate
The XLogP value of 3.1 indicates that Tert-butyl 3,3-bis(phenylsulfonyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 3,3-bis(phenylsulfonyl)propanoate. Following Lipinski's Rule of Five, Tert-butyl 3,3-bis(phenylsulfonyl)propanoate has 0 hydrogen bond donor(s) and 6 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 Tert-butyl 3,3-bis(phenylsulfonyl)propanoate?
The CAS number of Tert-butyl 3,3-bis(phenylsulfonyl)propanoate is 40133-12-8.
What is the molecular formula of Tert-butyl 3,3-bis(phenylsulfonyl)propanoate?
The molecular formula of Tert-butyl 3,3-bis(phenylsulfonyl)propanoate is C19H22O6S2.
What is the molecular weight of Tert-butyl 3,3-bis(phenylsulfonyl)propanoate?
The molecular weight of Tert-butyl 3,3-bis(phenylsulfonyl)propanoate is 410.09 g/mol.
Where can I buy Tert-butyl 3,3-bis(phenylsulfonyl)propanoate?
You can request a quote for Tert-butyl 3,3-bis(phenylsulfonyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 3,3-bis(phenylsulfonyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3,3-bis(phenylsulfonyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.