![(7S,10E)-7-(acetylamino)-10-{[(5-amino-4-methoxy-6-methylpyridin-3-yl)methyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate structure](/static/products/121/1212361-49-3.webp)
(7S,10E)-7-(acetylamino)-10-{[(5-amino-4-methoxy-6-methylpyridin-3-yl)methyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate
TL;DR: (7S,10E)-7-(acetylamino)-10-{[(5-amino-4-methoxy-6-methylpyridin-3-yl)methyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate (CAS 1212361-49-3) is a chemical compound with molecular formula C29H34N4O6 and molecular weight 534.24786 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(7S)-10-[(5-amino-4-methoxy-6-methyl-3-pyridinyl)methylamino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Also Known As: (7S,10E)-7-(acetylamino)-10-{[(5-amino-4-methoxy-6-methylpyridin-3-yl)methyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate, (S)-N-(10-(((5-amino-4-methoxy-6-methylpyridin-3-yl)methyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide, N-[(7S)-10-[(5-amino-4-methoxy-6-methylpyridin-3-yl)methylamino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Technical Specifications
| Molecular Formula | C29H34N4O6 |
| Molecular Weight | 534.24786 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 534.24786 Da |
| Heavy Atoms | 39 |
| Complexity | 996.0 |
| SMILES | CC1=NC=C(C(=C1N)OC)CNC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C |
| InChIKey | DSTNQGFRWGLCRL-NRFANRHFSA-N |
Chemical Property Profile of (7S,10E)-7-(acetylamino)-10-{[(5-amino-4-methoxy-6-methylpyridin-3-yl)methyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate
Property Insights of (7S,10E)-7-(acetylamino)-10-{[(5-amino-4-methoxy-6-methylpyridin-3-yl)methyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (7S,10E)-7-(acetylamino)-10-{[(5-amino-4-methoxy-6-methylpyridin-3-yl)methyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (7S,10E)-7-(acetylamino)-10-{[(5-amino-4-methoxy-6-methylpyridin-3-yl)methyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate. Following Lipinski's Rule of Five, (7S,10E)-7-(acetylamino)-10-{[(5-amino-4-methoxy-6-methylpyridin-3-yl)methyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (7S,10E)-7-(acetylamino)-10-{[(5-amino-4-methoxy-6-methylpyridin-3-yl)methyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate?
The CAS number of (7S,10E)-7-(acetylamino)-10-{[(5-amino-4-methoxy-6-methylpyridin-3-yl)methyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate is 1212361-49-3.
What is the molecular formula of (7S,10E)-7-(acetylamino)-10-{[(5-amino-4-methoxy-6-methylpyridin-3-yl)methyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate?
The molecular formula of (7S,10E)-7-(acetylamino)-10-{[(5-amino-4-methoxy-6-methylpyridin-3-yl)methyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate is C29H34N4O6.
What is the molecular weight of (7S,10E)-7-(acetylamino)-10-{[(5-amino-4-methoxy-6-methylpyridin-3-yl)methyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate?
The molecular weight of (7S,10E)-7-(acetylamino)-10-{[(5-amino-4-methoxy-6-methylpyridin-3-yl)methyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate is 534.24786 g/mol.
Where can I buy (7S,10E)-7-(acetylamino)-10-{[(5-amino-4-methoxy-6-methylpyridin-3-yl)methyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate?
You can request a quote for (7S,10E)-7-(acetylamino)-10-{[(5-amino-4-methoxy-6-methylpyridin-3-yl)methyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (7S,10E)-7-(acetylamino)-10-{[(5-amino-4-methoxy-6-methylpyridin-3-yl)methyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate?
Yes, CoreyChem provides custom synthesis services for (7S,10E)-7-(acetylamino)-10-{[(5-amino-4-methoxy-6-methylpyridin-3-yl)methyl]iminio}-1,2,3-trimethoxy-5,6,7,10-tetrahydrobenzo[a]heptalen-9-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.