![(S)-N-(10-((4-fluorobenzyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide structure](/static/products/121/1212418-57-9.png)
(S)-N-(10-((4-fluorobenzyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
TL;DR: (S)-N-(10-((4-fluorobenzyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide (CAS 1212418-57-9) is a chemical compound with molecular formula C28H29FN2O5 and molecular weight 492.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(7S)-10-[(4-fluorophenyl)methylamino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Also Known As: (S)-N-(10-((4-fluorobenzyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide, N-[(7S)-10-[(4-fluorophenyl)methylamino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide, N-{(7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide
| Molecular Formula | C28H29FN2O5 |
|---|---|
| Molecular Weight | 492.21 g/mol |
| LogP | 4.6142 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.20605 |
| Heavy Atoms | 36 |
| Complexity | 1341.3168 |
Chemical Identifiers
| CAS Number | 1212418-57-9 |
|---|---|
| SMILES | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCC4=CC=C(C=C4)F)OC)OC)OC |
Product Overview
(S)-N-(10-((4-fluorobenzyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide (CAS 1212418-57-9), with molecular formula C28H29FN2O5 and molecular weight 492.21 g/mol. IUPAC: N-[(7S)-10-[(4-fluorophenyl)methylamino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide.
Chemical Property Profile of (S)-N-(10-((4-fluorobenzyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
Property Insights of (S)-N-(10-((4-fluorobenzyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
The XLogP value of 4.6142 indicates that (S)-N-(10-((4-fluorobenzyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(10-((4-fluorobenzyl)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-((4-fluorobenzyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide has 2 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 (S)-N-(10-((4-fluorobenzyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide?
The CAS number of (S)-N-(10-((4-fluorobenzyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is 1212418-57-9.
What is the molecular formula of (S)-N-(10-((4-fluorobenzyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide?
The molecular formula of (S)-N-(10-((4-fluorobenzyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is C28H29FN2O5.
What is the molecular weight of (S)-N-(10-((4-fluorobenzyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide?
The molecular weight of (S)-N-(10-((4-fluorobenzyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is 492.21 g/mol.
Where can I buy (S)-N-(10-((4-fluorobenzyl)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-((4-fluorobenzyl)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-((4-fluorobenzyl)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-((4-fluorobenzyl)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.