Bis-sulfone NHS Ester
TL;DR: Bis-sulfone NHS Ester (CAS 899452-51-8) is a chemical compound with molecular formula C29H27NO9S2 and molecular weight 597.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dioxopyrrolidin-1-yl) 4-[3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]propanoyl]benzoate
Also Known As: Bis-sulfone NHS Ester, nchembio786-comp2, 2,5-Dioxopyrrolidin-1-yl 4-(3-tosyl-2-(tosylmethyl)propanoyl)benzoate, 4-[2,2-bis[(p-tolylsulfonyl)-methyl]acetyl]benzoic acid-N-hydroxy succinimidyl ester, 4-[2,2-bis[(p-tolylsulfonyl)-methyl]acetyl]benzoic acid N-succinimidyl ester
| Molecular Formula | C29H27NO9S2 |
|---|---|
| Molecular Weight | 597.11 g/mol |
| LogP | 3.27094 |
| Topological Polar Surface Area | 149.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 597.11273 |
| Heavy Atoms | 41 |
| Complexity | 1616.688 |
Chemical Identifiers
| CAS Number | 899452-51-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(CS(=O)(=O)C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C(=O)ON4C(=O)CCC4=O |
Product Overview
Bis-sulfone NHS Ester (CAS 899452-51-8), with molecular formula C29H27NO9S2 and molecular weight 597.11 g/mol. IUPAC: (2,5-dioxopyrrolidin-1-yl) 4-[3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]propanoyl]benzoate.
Chemical Property Profile of Bis-sulfone NHS Ester
Property Insights of Bis-sulfone NHS Ester
The XLogP value of 3.27094 indicates that Bis-sulfone NHS Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.03 Ų indicates high polarity, suggesting Bis-sulfone NHS Ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis-sulfone NHS Ester has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis-sulfone NHS Ester?
The CAS number of Bis-sulfone NHS Ester is 899452-51-8.
What is the molecular formula of Bis-sulfone NHS Ester?
The molecular formula of Bis-sulfone NHS Ester is C29H27NO9S2.
What is the molecular weight of Bis-sulfone NHS Ester?
The molecular weight of Bis-sulfone NHS Ester is 597.11 g/mol.
Where can I buy Bis-sulfone NHS Ester?
You can request a quote for Bis-sulfone NHS Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis-sulfone NHS Ester?
Yes, KEHONG BIO provides custom synthesis services for Bis-sulfone NHS Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.