RefChem:322043
TL;DR: RefChem:322043 (CAS 81074-94-4) is a chemical compound with molecular formula C29H32N2O5 and molecular weight 488.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-3-yl]methyl]benzamide
Also Known As: Benzamide, N-((5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo(de,g)quinolin-3-yl)methyl)-, (S)-, Benzamide,N-[(5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinolin-3-yl)methyl]-,(S)- (9CI), Benzamide,N-[(5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinolin-3-yl)methyl]-,(S)-(9ci), N-[(1,2,9,10-Tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-3-yl)methyl]benzenecarboximidic acid, N-[[[(6aS)-5,6,6aalpha,7-Tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinolin]-3-yl]methyl]benzamide
| Molecular Formula | C29H32N2O5 |
|---|---|
| Molecular Weight | 488.23 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.2311 |
| Heavy Atoms | 36 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 81074-94-4 |
|---|---|
| SMILES | CN1CCC2=C(C(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC)CNC(=O)C5=CC=CC=C5 |
| InChIKey | ILXXCCKMTGQDEG-QFIPXVFZSA-N |
Product Overview
RefChem:322043 (CAS 81074-94-4), with molecular formula C29H32N2O5 and molecular weight 488.23 g/mol. IUPAC: N-[[(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-3-yl]methyl]benzamide.
Chemical Property Profile of RefChem:322043
Property Insights of RefChem:322043
The XLogP value of 4.1 indicates that RefChem:322043 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:322043. Following Lipinski's Rule of Five, RefChem:322043 has 1 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 RefChem:322043?
The CAS number of RefChem:322043 is 81074-94-4.
What is the molecular formula of RefChem:322043?
The molecular formula of RefChem:322043 is C29H32N2O5.
What is the molecular weight of RefChem:322043?
The molecular weight of RefChem:322043 is 488.23 g/mol.
Where can I buy RefChem:322043?
You can request a quote for RefChem:322043 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322043?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322043 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.