6,8-Di-S-cysteinyldihydrobenzothiazine
TL;DR: 6,8-Di-S-cysteinyldihydrobenzothiazine (CAS 153881-28-8) is a chemical compound with molecular formula C17H24N4O7S3 and molecular weight 492.08072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R)-6,8-bis[[(2R)-2-amino-2-carboxyethyl]sulfanyl]-7-(2-aminoethyl)-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-3-carboxylic acid
Also Known As: 6,8-Di-S-cysteinyldihydrobenzothiazine, 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-6,8-bis((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (3R-(3R*,6(R*),8(R*)))-, (3R)-6,8-Bis{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-7-(2-aminoethyl)-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-3-carboxylic acid, (3R)-7-(2-aminoethyl)-6,8-bis[[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl]-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-3-carboxylic acid
Technical Specifications
| Molecular Formula | C17H24N4O7S3 |
| Molecular Weight | 492.08072 g/mol |
| XLogP | -7.7 |
| Topological Polar Surface Area (TPSA) | 298.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 492.08072 Da |
| Heavy Atoms | 31 |
| Complexity | 661.0 |
| SMILES | C1[C@H](NC2=C(C(=C(C(=C2S1)SC[C@@H](C(=O)O)N)CCN)SC[C@@H](C(=O)O)N)O)C(=O)O |
| InChIKey | JZVGWAACQRYRJH-CIUDSAMLSA-N |
Chemical Property Profile of 6,8-Di-S-cysteinyldihydrobenzothiazine
Property Insights of 6,8-Di-S-cysteinyldihydrobenzothiazine
The XLogP value of -7.7 indicates that 6,8-Di-S-cysteinyldihydrobenzothiazine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 298.0 Ų indicates high polarity, suggesting 6,8-Di-S-cysteinyldihydrobenzothiazine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6,8-Di-S-cysteinyldihydrobenzothiazine has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 6,8-Di-S-cysteinyldihydrobenzothiazine?
The CAS number of 6,8-Di-S-cysteinyldihydrobenzothiazine is 153881-28-8.
What is the molecular formula of 6,8-Di-S-cysteinyldihydrobenzothiazine?
The molecular formula of 6,8-Di-S-cysteinyldihydrobenzothiazine is C17H24N4O7S3.
What is the molecular weight of 6,8-Di-S-cysteinyldihydrobenzothiazine?
The molecular weight of 6,8-Di-S-cysteinyldihydrobenzothiazine is 492.08072 g/mol.
Where can I buy 6,8-Di-S-cysteinyldihydrobenzothiazine?
You can request a quote for 6,8-Di-S-cysteinyldihydrobenzothiazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6,8-Di-S-cysteinyldihydrobenzothiazine?
Yes, CoreyChem provides custom synthesis services for 6,8-Di-S-cysteinyldihydrobenzothiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.