N-Desacetyl-N-adamantoylthiocolchicine
TL;DR: N-Desacetyl-N-adamantoylthiocolchicine (CAS 60864-99-5) is a chemical compound with molecular formula C31H37NO5S and molecular weight 535.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]adamantane-1-carboxamide
Also Known As: N-Desacetyl-N-adamantoyl-thiocolchicine, N-Desacetyl-N-adamantoylthiocolchicine, N-Desacetyl-N-adamantoyl-thiocolchicine [French], Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide, N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, N-[(7S)-1,2,3-Trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]adamantane-1-carboxamide
| Molecular Formula | C31H37NO5S |
|---|---|
| Molecular Weight | 535.24 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 99.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 535.23926 |
| Heavy Atoms | 38 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 60864-99-5 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC(=O)C45CC6CC(C4)CC(C6)C5)OC)OC |
| InChIKey | XZCAOCHCMOFVSD-QNIFSHABSA-N |
Product Overview
N-Desacetyl-N-adamantoylthiocolchicine (CAS 60864-99-5), with molecular formula C31H37NO5S and molecular weight 535.24 g/mol. IUPAC: N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]adamantane-1-carboxamide.
Chemical Property Profile of N-Desacetyl-N-adamantoylthiocolchicine
Property Insights of N-Desacetyl-N-adamantoylthiocolchicine
The XLogP value of 4.3 indicates that N-Desacetyl-N-adamantoylthiocolchicine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Desacetyl-N-adamantoylthiocolchicine. Following Lipinski's Rule of Five, N-Desacetyl-N-adamantoylthiocolchicine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Desacetyl-N-adamantoylthiocolchicine?
The CAS number of N-Desacetyl-N-adamantoylthiocolchicine is 60864-99-5.
What is the molecular formula of N-Desacetyl-N-adamantoylthiocolchicine?
The molecular formula of N-Desacetyl-N-adamantoylthiocolchicine is C31H37NO5S.
What is the molecular weight of N-Desacetyl-N-adamantoylthiocolchicine?
The molecular weight of N-Desacetyl-N-adamantoylthiocolchicine is 535.24 g/mol.
Where can I buy N-Desacetyl-N-adamantoylthiocolchicine?
You can request a quote for N-Desacetyl-N-adamantoylthiocolchicine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desacetyl-N-adamantoylthiocolchicine?
Yes, KEHONG BIO provides custom synthesis services for N-Desacetyl-N-adamantoylthiocolchicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.