BAS 00411186
TL;DR: BAS 00411186 (CAS 299948-49-5) is a chemical compound with molecular formula C21H22BrNO5 and molecular weight 447.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00411186, prop-2-enyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, prop-2-enyl 4-[3-bromo-4-hydroxy-5-(methyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, allyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, prop-2-en-1-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C21H22BrNO5 |
|---|---|
| Molecular Weight | 447.07 g/mol |
| LogP | 3.8604 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.06815 |
| Heavy Atoms | 28 |
| Complexity | 915.61615 |
Chemical Identifiers
| CAS Number | 299948-49-5 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OCC=C |
Product Overview
BAS 00411186 (CAS 299948-49-5), with molecular formula C21H22BrNO5 and molecular weight 447.07 g/mol. IUPAC: prop-2-enyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00411186
Property Insights of BAS 00411186
The XLogP value of 3.8604 indicates that BAS 00411186 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 00411186. Following Lipinski's Rule of Five, BAS 00411186 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 00411186?
The CAS number of BAS 00411186 is 299948-49-5.
What is the molecular formula of BAS 00411186?
The molecular formula of BAS 00411186 is C21H22BrNO5.
What is the molecular weight of BAS 00411186?
The molecular weight of BAS 00411186 is 447.07 g/mol.
Where can I buy BAS 00411186?
You can request a quote for BAS 00411186 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00411186?
Yes, KEHONG BIO provides custom synthesis services for BAS 00411186 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.