Thiocolchicine analog
TL;DR: Thiocolchicine analog (CAS 134568-31-3) is a chemical compound with molecular formula C19H21NO4S and molecular weight 359.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S)-7-amino-2-hydroxy-1,3-dimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one
Also Known As: Thiocolchicine analog, N-Deacetyl-2-demethylthiocolchicine, Benzo(a)heptalen-9(5H)-one, 7-amino-6,7-dihydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-, (S)-, (7S)-7-amino-2-hydroxy-1,3-dimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one, (7S)-7-Amino-2-hydroxy-1,3-dimethoxy-10-(methylsulfanyl)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
| Molecular Formula | C19H21NO4S |
|---|---|
| Molecular Weight | 359.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.11914 |
| Heavy Atoms | 25 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 134568-31-3 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)N)OC)O |
| InChIKey | MOUSTTYMVHDBLZ-ZDUSSCGKSA-N |
Product Overview
Thiocolchicine analog (CAS 134568-31-3), with molecular formula C19H21NO4S and molecular weight 359.12 g/mol. IUPAC: (7S)-7-amino-2-hydroxy-1,3-dimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one.
Chemical Property Profile of Thiocolchicine analog
Property Insights of Thiocolchicine analog
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocolchicine analog. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocolchicine analog. Following Lipinski's Rule of Five, Thiocolchicine analog has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiocolchicine analog?
The CAS number of Thiocolchicine analog is 134568-31-3.
What is the molecular formula of Thiocolchicine analog?
The molecular formula of Thiocolchicine analog is C19H21NO4S.
What is the molecular weight of Thiocolchicine analog?
The molecular weight of Thiocolchicine analog is 359.12 g/mol.
Where can I buy Thiocolchicine analog?
You can request a quote for Thiocolchicine analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocolchicine analog?
Yes, KEHONG BIO provides custom synthesis services for Thiocolchicine analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.