BAS 00410998
TL;DR: BAS 00410998 (CAS 157870-53-6) is a chemical compound with molecular formula C23H29NO6 and molecular weight 415.1995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00410998, methyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, J2.548.675G, AE-842/32202012, F1142-5972
Technical Specifications
| Molecular Formula | C23H29NO6 |
| Molecular Weight | 415.1995 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.1995 Da |
| Heavy Atoms | 30 |
| Complexity | 754.0 |
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC |
| InChIKey | HPUMFPFVDUHQBD-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00410998
Property Insights of BAS 00410998
The XLogP value of 3.2 indicates that BAS 00410998 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00410998. Following Lipinski's Rule of Five, BAS 00410998 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BAS 00410998?
The CAS number of BAS 00410998 is 157870-53-6.
What is the molecular formula of BAS 00410998?
The molecular formula of BAS 00410998 is C23H29NO6.
What is the molecular weight of BAS 00410998?
The molecular weight of BAS 00410998 is 415.1995 g/mol.
Where can I buy BAS 00410998?
You can request a quote for BAS 00410998 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00410998?
Yes, CoreyChem provides custom synthesis services for BAS 00410998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.