BAS 00381539
TL;DR: BAS 00381539 (CAS 299407-49-1) is a chemical compound with molecular formula C19H20BrNO4 and molecular weight 405.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00381539, methyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, methyl 4-[3-bromo-4-(methyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C19H20BrNO4 |
|---|---|
| Molecular Weight | 405.06 g/mol |
| LogP | 3.5986 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.05756 |
| Heavy Atoms | 25 |
| Complexity | 809.64215 |
Chemical Identifiers
| CAS Number | 299407-49-1 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC)Br)C(=O)OC |
Product Overview
BAS 00381539 (CAS 299407-49-1), with molecular formula C19H20BrNO4 and molecular weight 405.06 g/mol. IUPAC: methyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00381539
Property Insights of BAS 00381539
The XLogP value of 3.5986 indicates that BAS 00381539 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 00381539. Following Lipinski's Rule of Five, BAS 00381539 has 1 hydrogen bond donor(s) and 5 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 00381539?
The CAS number of BAS 00381539 is 299407-49-1.
What is the molecular formula of BAS 00381539?
The molecular formula of BAS 00381539 is C19H20BrNO4.
What is the molecular weight of BAS 00381539?
The molecular weight of BAS 00381539 is 405.06 g/mol.
Where can I buy BAS 00381539?
You can request a quote for BAS 00381539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00381539?
Yes, KEHONG BIO provides custom synthesis services for BAS 00381539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.