Trichosiderin B
TL;DR: Trichosiderin B (CAS 35394-49-1) is a chemical compound with molecular formula C23H20N4O9S2 and molecular weight 560.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-amino-2-carboxyethyl)-2-[7-(2-amino-2-carboxyethyl)-3-hydroxy-5-oxo-1,4-benzothiazin-2-yl]-5-hydroxy-4H-1,4-benzothiazine-3-carboxylic acid
Also Known As: Trichosiderin B, Trichochrome B, 8-(2-amino-2-carboxyethyl)-2-[7-(2-amino-2-carboxyethyl)-3-hydroxy-5-oxo-1,4-benzothiazin-2-yl]-5-hydroxy-4H-1,4-benzothiazine-3-carboxylic acid, (2E)-8-(2-amino-3-hydroxy-3-oxopropyl)-2-[7-(2-amino-3-hydroxy-3-oxopropyl)-5-hydroxy-3-oxo-4H-1,4-benzothiazin-2-ylidene]-5-hydroxy-1,4-benzothiazine-3-carboxylic acid, 8-(2-amino-2-carboxyethyl)-2-[7-(2-amino-2-carboxyethyl)-5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid
| Molecular Formula | C23H20N4O9S2 |
|---|---|
| Molecular Weight | 560.07 g/mol |
| LogP | -5.0 |
| Topological Polar Surface Area | 296.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 560.0672 |
| Heavy Atoms | 38 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 35394-49-1 |
|---|---|
| SMILES | C1=CC(=C2C(=C1CC(C(=O)O)N)SC(=C(N2)C(=O)O)C3=C(N=C4C(=CC(=CC4=O)CC(C(=O)O)N)S3)O)O |
| InChIKey | VXJGNQUAGGPHPH-UHFFFAOYSA-N |
Product Overview
Trichosiderin B (CAS 35394-49-1), with molecular formula C23H20N4O9S2 and molecular weight 560.07 g/mol. IUPAC: 8-(2-amino-2-carboxyethyl)-2-[7-(2-amino-2-carboxyethyl)-3-hydroxy-5-oxo-1,4-benzothiazin-2-yl]-5-hydroxy-4H-1,4-benzothiazine-3-carboxylic acid.
Chemical Property Profile of Trichosiderin B
Property Insights of Trichosiderin B
The XLogP value of -5.0 indicates that Trichosiderin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 296.0 Ų indicates high polarity, suggesting Trichosiderin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trichosiderin B has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trichosiderin B?
The CAS number of Trichosiderin B is 35394-49-1.
What is the molecular formula of Trichosiderin B?
The molecular formula of Trichosiderin B is C23H20N4O9S2.
What is the molecular weight of Trichosiderin B?
The molecular weight of Trichosiderin B is 560.07 g/mol.
Where can I buy Trichosiderin B?
You can request a quote for Trichosiderin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichosiderin B?
Yes, KEHONG BIO provides custom synthesis services for Trichosiderin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.