BAS 00410689
TL;DR: BAS 00410689 (CAS 299946-05-7) is a chemical compound with molecular formula C24H31NO5 and molecular weight 413.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00410689, 1-methylethyl 4-[3-(ethyloxy)-4-hydroxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, propan-2-yl 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, isopropyl 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C24H31NO5 |
|---|---|
| Molecular Weight | 413.22 g/mol |
| LogP | 4.3465 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.2202 |
| Heavy Atoms | 30 |
| Complexity | 938.91473 |
Chemical Identifiers
| CAS Number | 299946-05-7 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC(C)C)C)O |
Product Overview
BAS 00410689 (CAS 299946-05-7), with molecular formula C24H31NO5 and molecular weight 413.22 g/mol. IUPAC: propan-2-yl 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00410689
Property Insights of BAS 00410689
The XLogP value of 4.3465 indicates that BAS 00410689 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00410689. Following Lipinski's Rule of Five, BAS 00410689 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 BAS 00410689?
The CAS number of BAS 00410689 is 299946-05-7.
What is the molecular formula of BAS 00410689?
The molecular formula of BAS 00410689 is C24H31NO5.
What is the molecular weight of BAS 00410689?
The molecular weight of BAS 00410689 is 413.22 g/mol.
Where can I buy BAS 00410689?
You can request a quote for BAS 00410689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00410689?
Yes, KEHONG BIO provides custom synthesis services for BAS 00410689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.