Deacetylthiocolchicine chlorhydrate
TL;DR: Deacetylthiocolchicine chlorhydrate (CAS 16665-61-5) is a chemical compound with molecular formula C20H24ClNO4S and molecular weight 409.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S)-7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one;hydrochloride
Also Known As: Deacetylthiocolchicine HCl, Deacetylthiocolchicine hydrochloride, Deacetylthiocolchicine chlorhydrate, Colchicine, N-deacetyl-10-thio-, hydrochloride, benzo(a)heptalen-9(5h)-one, 7-amino-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-, hydrochloride,(s)-
| Molecular Formula | C20H24ClNO4S |
|---|---|
| Molecular Weight | 409.11 g/mol |
| LogP | 3.83 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.11145 |
| Heavy Atoms | 27 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 16665-61-5 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)N)OC)OC.Cl |
| InChIKey | FZWWESYLVBVOGY-UQKRIMTDSA-N |
Product Overview
Deacetylthiocolchicine chlorhydrate (CAS 16665-61-5), with molecular formula C20H24ClNO4S and molecular weight 409.11 g/mol. IUPAC: (7S)-7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one;hydrochloride.
Chemical Property Profile of Deacetylthiocolchicine chlorhydrate
Property Insights of Deacetylthiocolchicine chlorhydrate
The XLogP value of 3.83 indicates that Deacetylthiocolchicine chlorhydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Deacetylthiocolchicine chlorhydrate. Following Lipinski's Rule of Five, Deacetylthiocolchicine chlorhydrate 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 Deacetylthiocolchicine chlorhydrate?
The CAS number of Deacetylthiocolchicine chlorhydrate is 16665-61-5.
What is the molecular formula of Deacetylthiocolchicine chlorhydrate?
The molecular formula of Deacetylthiocolchicine chlorhydrate is C20H24ClNO4S.
What is the molecular weight of Deacetylthiocolchicine chlorhydrate?
The molecular weight of Deacetylthiocolchicine chlorhydrate is 409.11 g/mol.
Where can I buy Deacetylthiocolchicine chlorhydrate?
You can request a quote for Deacetylthiocolchicine chlorhydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deacetylthiocolchicine chlorhydrate?
Yes, KEHONG BIO provides custom synthesis services for Deacetylthiocolchicine chlorhydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.