N-Caffeoyl-N-deacetylcolchicine
TL;DR: N-Caffeoyl-N-deacetylcolchicine (CAS 134568-34-6) is a chemical compound with molecular formula C29H29NO8 and molecular weight 519.18933 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(3,4-dihydroxyphenyl)-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]prop-2-enamide
Also Known As: Colchicine analog, N-Caffeoyl-N-deacetylcolchicine, Benzo[a]heptalene, 2-propenamide deriv., (E)-3-(3,4-dihydroxyphenyl)-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]prop-2-enamide, 2-Propenamide, 3-(3,4-dihydroxyphenyl)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-
Technical Specifications
| Molecular Formula | C29H29NO8 |
| Molecular Weight | 519.18933 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 519.18933 Da |
| Heavy Atoms | 38 |
| Complexity | 1000.0 |
| SMILES | COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)/C=C/C4=CC(=C(C=C4)O)O |
| InChIKey | MTVBVFSGDINIEK-YLZBSDIZSA-N |
Chemical Property Profile of N-Caffeoyl-N-deacetylcolchicine
Property Insights of N-Caffeoyl-N-deacetylcolchicine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Caffeoyl-N-deacetylcolchicine. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Caffeoyl-N-deacetylcolchicine. Following Lipinski's Rule of Five, N-Caffeoyl-N-deacetylcolchicine has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-Caffeoyl-N-deacetylcolchicine?
The CAS number of N-Caffeoyl-N-deacetylcolchicine is 134568-34-6.
What is the molecular formula of N-Caffeoyl-N-deacetylcolchicine?
The molecular formula of N-Caffeoyl-N-deacetylcolchicine is C29H29NO8.
What is the molecular weight of N-Caffeoyl-N-deacetylcolchicine?
The molecular weight of N-Caffeoyl-N-deacetylcolchicine is 519.18933 g/mol.
Where can I buy N-Caffeoyl-N-deacetylcolchicine?
You can request a quote for N-Caffeoyl-N-deacetylcolchicine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Caffeoyl-N-deacetylcolchicine?
Yes, CoreyChem provides custom synthesis services for N-Caffeoyl-N-deacetylcolchicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.