BAS 00411221
TL;DR: BAS 00411221 (CAS 299948-69-9) is a chemical compound with molecular formula C23H28BrNO4 and molecular weight 461.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00411221, BIM-0020906.P001, pentyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, pentyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, pentyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4,6,7,8-pentahydroquinolin e-3-carboxylate
| Molecular Formula | C23H28BrNO4 |
|---|---|
| Molecular Weight | 461.12 g/mol |
| LogP | 5.159 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.12018 |
| Heavy Atoms | 29 |
| Complexity | 871.62885 |
Chemical Identifiers
| CAS Number | 299948-69-9 |
|---|---|
| SMILES | CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)Br)C(=O)CCC2)C |
Product Overview
BAS 00411221 (CAS 299948-69-9), with molecular formula C23H28BrNO4 and molecular weight 461.12 g/mol. IUPAC: pentyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00411221
Property Insights of BAS 00411221
The XLogP value of 5.159 indicates that BAS 00411221 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00411221. Following Lipinski's Rule of Five, BAS 00411221 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00411221?
The CAS number of BAS 00411221 is 299948-69-9.
What is the molecular formula of BAS 00411221?
The molecular formula of BAS 00411221 is C23H28BrNO4.
What is the molecular weight of BAS 00411221?
The molecular weight of BAS 00411221 is 461.12 g/mol.
Where can I buy BAS 00411221?
You can request a quote for BAS 00411221 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00411221?
Yes, KEHONG BIO provides custom synthesis services for BAS 00411221 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.