![(S)-N-(10-((2-(dimethylamino)ethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide structure](/static/products/392/3926-81-6.png)
(S)-N-(10-((2-(dimethylamino)ethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
TL;DR: (S)-N-(10-((2-(dimethylamino)ethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide (CAS 3926-81-6) is a chemical compound with molecular formula C25H33N3O5 and molecular weight 455.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(7S)-10-[2-(dimethylamino)ethylamino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Also Known As: (S)-N-(10-((2-(dimethylamino)ethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide, N-[(7S)-10-(2-dimethylaminoethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide, N-[(7S)-10-{[2-(dimethylamino)ethyl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
| Molecular Formula | C25H33N3O5 |
|---|---|
| Molecular Weight | 455.24 g/mol |
| LogP | 2.8365 |
| Topological Polar Surface Area | 89.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.24203 |
| Heavy Atoms | 33 |
| Complexity | 1084.4182 |
Chemical Identifiers
| CAS Number | 3926-81-6 |
|---|---|
| SMILES | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCN(C)C)OC)OC)OC |
Product Overview
(S)-N-(10-((2-(dimethylamino)ethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide (CAS 3926-81-6), with molecular formula C25H33N3O5 and molecular weight 455.24 g/mol. IUPAC: N-[(7S)-10-[2-(dimethylamino)ethylamino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide.
Chemical Property Profile of (S)-N-(10-((2-(dimethylamino)ethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
Property Insights of (S)-N-(10-((2-(dimethylamino)ethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
The XLogP value of 2.8365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-N-(10-((2-(dimethylamino)ethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide. The TPSA of 89.13 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(10-((2-(dimethylamino)ethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide. Following Lipinski's Rule of Five, (S)-N-(10-((2-(dimethylamino)ethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide has 2 hydrogen bond donor(s) and 7 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 (S)-N-(10-((2-(dimethylamino)ethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide?
The CAS number of (S)-N-(10-((2-(dimethylamino)ethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is 3926-81-6.
What is the molecular formula of (S)-N-(10-((2-(dimethylamino)ethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide?
The molecular formula of (S)-N-(10-((2-(dimethylamino)ethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is C25H33N3O5.
What is the molecular weight of (S)-N-(10-((2-(dimethylamino)ethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide?
The molecular weight of (S)-N-(10-((2-(dimethylamino)ethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is 455.24 g/mol.
Where can I buy (S)-N-(10-((2-(dimethylamino)ethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide?
You can request a quote for (S)-N-(10-((2-(dimethylamino)ethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-N-(10-((2-(dimethylamino)ethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (S)-N-(10-((2-(dimethylamino)ethyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.