Thiocolchicoside
TL;DR: Thiocolchicoside (CAS 602-41-5) is a chemical compound with molecular formula C27H33NO10S and molecular weight 563.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Also Known As: Thiocolchicoside, Coltramyl, Musco-ril, Tiocolchicoside, Tiocolchicosido
| Molecular Formula | C27H33NO10S |
|---|---|
| Molecular Weight | 563.18 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 563.1825 |
| Heavy Atoms | 39 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 602-41-5 |
|---|---|
| SMILES | CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChIKey | LEQAKWQJCITZNK-MSQQGMGVSA-N |
Product Overview
Thiocolchicoside (CAS 602-41-5), with molecular formula C27H33NO10S and molecular weight 563.18 g/mol. IUPAC: N-[1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide.
Chemical Property Profile of Thiocolchicoside
Property Insights of Thiocolchicoside
The XLogP value of -0.4 indicates that Thiocolchicoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.0 Ų indicates high polarity, suggesting Thiocolchicoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiocolchicoside has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiocolchicoside?
The CAS number of Thiocolchicoside is 602-41-5.
What is the molecular formula of Thiocolchicoside?
The molecular formula of Thiocolchicoside is C27H33NO10S.
What is the molecular weight of Thiocolchicoside?
The molecular weight of Thiocolchicoside is 563.18 g/mol.
Where can I buy Thiocolchicoside?
You can request a quote for Thiocolchicoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocolchicoside?
Yes, KEHONG BIO provides custom synthesis services for Thiocolchicoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.