S.S'-(4-carbamoyl-phenylarsanediyl)-bis-L-cysteine
TL;DR: S.S'-(4-carbamoyl-phenylarsanediyl)-bis-L-cysteine (CAS 6318-95-2) is a chemical compound with molecular formula C13H18AsN3O5S2 and molecular weight 434.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[(2-amino-2-carboxyethyl)sulfanyl-(4-carbamoylphenyl)arsanyl]sulfanylpropanoic acid
Also Known As: S.S'-(4-carbamoyl-phenylarsanediyl)-bis-L-cysteine, 3,3'-{[(4-carbamoylphenyl)arsanediyl]disulfanediyl}bis(2-aminopropanoic acid)(non-preferred name), Bis-((R)-2-amino-2-carboxy-aethylmercapto)-(4-carbamoyl-phenyl)-arsin, 2-amino-3-[(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-(4-carbamoylphenyl)arsanyl]sulfanylpropanoic acid
| Molecular Formula | C13H18AsN3O5S2 |
|---|---|
| Molecular Weight | 434.99 g/mol |
| LogP | -1.2291 |
| Topological Polar Surface Area | 220.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 434.9904 |
| Heavy Atoms | 24 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 6318-95-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N)[As](SCC(C(=O)O)N)SCC(C(=O)O)N |
| InChIKey | SRHIEGHDCWTIRG-UHFFFAOYSA-N |
Product Overview
S.S'-(4-carbamoyl-phenylarsanediyl)-bis-L-cysteine (CAS 6318-95-2), with molecular formula C13H18AsN3O5S2 and molecular weight 434.99 g/mol. IUPAC: 2-amino-3-[(2-amino-2-carboxyethyl)sulfanyl-(4-carbamoylphenyl)arsanyl]sulfanylpropanoic acid.
Chemical Property Profile of S.S'-(4-carbamoyl-phenylarsanediyl)-bis-L-cysteine
Property Insights of S.S'-(4-carbamoyl-phenylarsanediyl)-bis-L-cysteine
The XLogP value of -1.2291 indicates that S.S'-(4-carbamoyl-phenylarsanediyl)-bis-L-cysteine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 220.0 Ų indicates high polarity, suggesting S.S'-(4-carbamoyl-phenylarsanediyl)-bis-L-cysteine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S.S'-(4-carbamoyl-phenylarsanediyl)-bis-L-cysteine has 5 hydrogen bond donor(s) and 9 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 S.S'-(4-carbamoyl-phenylarsanediyl)-bis-L-cysteine?
The CAS number of S.S'-(4-carbamoyl-phenylarsanediyl)-bis-L-cysteine is 6318-95-2.
What is the molecular formula of S.S'-(4-carbamoyl-phenylarsanediyl)-bis-L-cysteine?
The molecular formula of S.S'-(4-carbamoyl-phenylarsanediyl)-bis-L-cysteine is C13H18AsN3O5S2.
What is the molecular weight of S.S'-(4-carbamoyl-phenylarsanediyl)-bis-L-cysteine?
The molecular weight of S.S'-(4-carbamoyl-phenylarsanediyl)-bis-L-cysteine is 434.99 g/mol.
Where can I buy S.S'-(4-carbamoyl-phenylarsanediyl)-bis-L-cysteine?
You can request a quote for S.S'-(4-carbamoyl-phenylarsanediyl)-bis-L-cysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S.S'-(4-carbamoyl-phenylarsanediyl)-bis-L-cysteine?
Yes, KEHONG BIO provides custom synthesis services for S.S'-(4-carbamoyl-phenylarsanediyl)-bis-L-cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.