N-Deacetyl-1,2,3-demethylisocolchiceine
TL;DR: N-Deacetyl-1,2,3-demethylisocolchiceine (CAS 6877-18-5) is a chemical compound with molecular formula C16H15NO5 and molecular weight 301.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S)-7-amino-1,2,3,10-tetrahydroxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Also Known As: Colchicinic acid, Isocolchiceine analog, N-Deacetyl-1,2,3-demethylisocolchiceine, -7-Amino-6,7-dihydro-1,2,3,10-tetrahydroxybenzo[a]heptalen-9 -one, (7S)-7-amino-1,2,3,10-tetrahydroxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
| Molecular Formula | C16H15NO5 |
|---|---|
| Molecular Weight | 301.10 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 301.09503 |
| Heavy Atoms | 22 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 6877-18-5 |
|---|---|
| SMILES | C1CC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C3[C@H]1N)O)O)O)O |
| InChIKey | MNJZTCDGAVEFIT-JTQLQIEISA-N |
Product Overview
N-Deacetyl-1,2,3-demethylisocolchiceine (CAS 6877-18-5), with molecular formula C16H15NO5 and molecular weight 301.10 g/mol. IUPAC: (7S)-7-amino-1,2,3,10-tetrahydroxy-6,7-dihydro-5H-benzo[a]heptalen-9-one.
Chemical Property Profile of N-Deacetyl-1,2,3-demethylisocolchiceine
Property Insights of N-Deacetyl-1,2,3-demethylisocolchiceine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Deacetyl-1,2,3-demethylisocolchiceine. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Deacetyl-1,2,3-demethylisocolchiceine. Following Lipinski's Rule of Five, N-Deacetyl-1,2,3-demethylisocolchiceine has 5 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 N-Deacetyl-1,2,3-demethylisocolchiceine?
The CAS number of N-Deacetyl-1,2,3-demethylisocolchiceine is 6877-18-5.
What is the molecular formula of N-Deacetyl-1,2,3-demethylisocolchiceine?
The molecular formula of N-Deacetyl-1,2,3-demethylisocolchiceine is C16H15NO5.
What is the molecular weight of N-Deacetyl-1,2,3-demethylisocolchiceine?
The molecular weight of N-Deacetyl-1,2,3-demethylisocolchiceine is 301.10 g/mol.
Where can I buy N-Deacetyl-1,2,3-demethylisocolchiceine?
You can request a quote for N-Deacetyl-1,2,3-demethylisocolchiceine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Deacetyl-1,2,3-demethylisocolchiceine?
Yes, KEHONG BIO provides custom synthesis services for N-Deacetyl-1,2,3-demethylisocolchiceine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.