Sulfile
TL;DR: Sulfile (CAS 57631-15-9) is a chemical compound with molecular formula C10H21N5O4S and molecular weight 307.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-4-carboxybutyl)-(diaminomethylidene)azanium;1,3-thiazolidine-2-carboxylate
Also Known As: Sulfile, ATCA, Arginine thiazolidinecarboxylate, ARGININE, THIAZOLIDINECARBOXYLATE, L-Arginine monothiazolidine-4-carboxylate
| Molecular Formula | C10H21N5O4S |
|---|---|
| Molecular Weight | 307.13 g/mol |
| LogP | -5.07 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.13144 |
| Heavy Atoms | 20 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 57631-15-9 |
|---|---|
| SMILES | C1CSC(N1)C(=O)[O-].C(CC(C(=O)O)N)C[NH+]=C(N)N |
| InChIKey | FPFQUFITJZWWIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfile (CAS 57631-15-9), with molecular formula C10H21N5O4S and molecular weight 307.13 g/mol. IUPAC: (4-amino-4-carboxybutyl)-(diaminomethylidene)azanium;1,3-thiazolidine-2-carboxylate.
Chemical Property Profile of Sulfile
Property Insights of Sulfile
The XLogP value of -5.07 indicates that Sulfile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 207.0 Ų indicates high polarity, suggesting Sulfile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfile has 6 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 Sulfile?
The CAS number of Sulfile is 57631-15-9.
What is the molecular formula of Sulfile?
The molecular formula of Sulfile is C10H21N5O4S.
What is the molecular weight of Sulfile?
The molecular weight of Sulfile is 307.13 g/mol.
Where can I buy Sulfile?
You can request a quote for Sulfile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfile?
Yes, KEHONG BIO provides custom synthesis services for Sulfile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.