Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt
TL;DR: Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt (CAS 353754-92-4) is a chemical compound with molecular formula C19H35N5O5S3 and molecular weight 509.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-(2-methoxysulfonothioylethyl)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide
Also Known As: Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt, Biocytinamidoethyl MTS, TFA Salt, 2-amino-N-(2-methoxysulfonothioylethyl)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide, Biocytinamidoethyl methanethiosulfonate,trifluroacetic acid salt, Methanesulfonothioic Acid S-[2-[[(2S)-2-Amino-6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] Ester, 2,2,2-Trifluoroacetate
| Molecular Formula | C19H35N5O5S3 |
|---|---|
| Molecular Weight | 509.18 g/mol |
| LogP | -0.2501 |
| Topological Polar Surface Area | 151.65 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 509.18002 |
| Heavy Atoms | 32 |
| Complexity | 751.63556 |
Chemical Identifiers
| CAS Number | 353754-92-4 |
|---|---|
| SMILES | COS(=O)(=S)CCNC(=O)C(CCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)N |
Product Overview
Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt (CAS 353754-92-4), with molecular formula C19H35N5O5S3 and molecular weight 509.18 g/mol. IUPAC: 2-amino-N-(2-methoxysulfonothioylethyl)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide.
Chemical Property Profile of Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt
Property Insights of Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt
The XLogP value of -0.2501 indicates that Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 151.65 Ų indicates high polarity, suggesting Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt?
The CAS number of Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt is 353754-92-4.
What is the molecular formula of Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt?
The molecular formula of Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt is C19H35N5O5S3.
What is the molecular weight of Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt?
The molecular weight of Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt is 509.18 g/mol.
Where can I buy Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt?
You can request a quote for Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt?
Yes, KEHONG BIO provides custom synthesis services for Biocytinamidoethyl Methanethiosulfonate, Trifluroacetic Acid Salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.