N,N'-Bis(phenylmethanesulfonyl)cystine
TL;DR: N,N'-Bis(phenylmethanesulfonyl)cystine (CAS 6297-59-2) is a chemical compound with molecular formula C20H24N2O8S4 and molecular weight 548.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylsulfonylamino)-3-[[2-(benzylsulfonylamino)-2-carboxyethyl]disulfanyl]propanoic acid
Also Known As: N,N'-Bis(phenylmethanesulfonyl)cystine, 2-(benzylsulfonylamino)-3-[[2-(benzylsulfonylamino)-2-carboxyethyl]disulfanyl]propanoic acid, 2-(benzylsulfonylamino)-3-[[2-(benzylsulfonylamino)-3-hydroxy-3-oxopropyl]disulfanyl]propanoic acid
| Molecular Formula | C20H24N2O8S4 |
|---|---|
| Molecular Weight | 548.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 548.04156 |
| Heavy Atoms | 34 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 6297-59-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)NC(CSSCC(C(=O)O)NS(=O)(=O)CC2=CC=CC=C2)C(=O)O |
| InChIKey | VFHVMKCMQJKTSE-UHFFFAOYSA-N |
Product Overview
N,N'-Bis(phenylmethanesulfonyl)cystine (CAS 6297-59-2), with molecular formula C20H24N2O8S4 and molecular weight 548.04 g/mol. IUPAC: 2-(benzylsulfonylamino)-3-[[2-(benzylsulfonylamino)-2-carboxyethyl]disulfanyl]propanoic acid.
Chemical Property Profile of N,N'-Bis(phenylmethanesulfonyl)cystine
Property Insights of N,N'-Bis(phenylmethanesulfonyl)cystine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-Bis(phenylmethanesulfonyl)cystine. The TPSA of 234.0 Ų indicates high polarity, suggesting N,N'-Bis(phenylmethanesulfonyl)cystine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N'-Bis(phenylmethanesulfonyl)cystine has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N'-Bis(phenylmethanesulfonyl)cystine?
The CAS number of N,N'-Bis(phenylmethanesulfonyl)cystine is 6297-59-2.
What is the molecular formula of N,N'-Bis(phenylmethanesulfonyl)cystine?
The molecular formula of N,N'-Bis(phenylmethanesulfonyl)cystine is C20H24N2O8S4.
What is the molecular weight of N,N'-Bis(phenylmethanesulfonyl)cystine?
The molecular weight of N,N'-Bis(phenylmethanesulfonyl)cystine is 548.04 g/mol.
Where can I buy N,N'-Bis(phenylmethanesulfonyl)cystine?
You can request a quote for N,N'-Bis(phenylmethanesulfonyl)cystine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-Bis(phenylmethanesulfonyl)cystine?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Bis(phenylmethanesulfonyl)cystine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.