BAS 00545702
TL;DR: BAS 00545702 (CAS 299452-68-9) is a chemical compound with molecular formula C21H22BrNO6 and molecular weight 463.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00545702, AB00090305-01, 2-methoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, 2-methoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-methoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C21H22BrNO6 |
|---|---|
| Molecular Weight | 463.06 g/mol |
| LogP | 3.3353 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.06305 |
| Heavy Atoms | 29 |
| Complexity | 935.3442 |
Chemical Identifiers
| CAS Number | 299452-68-9 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Br)OCO4)C(=O)OCCOC |
Product Overview
BAS 00545702 (CAS 299452-68-9), with molecular formula C21H22BrNO6 and molecular weight 463.06 g/mol. IUPAC: 2-methoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00545702
Property Insights of BAS 00545702
The XLogP value of 3.3353 indicates that BAS 00545702 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00545702. Following Lipinski's Rule of Five, BAS 00545702 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
Frequently Asked Questions
What is the CAS number of BAS 00545702?
The CAS number of BAS 00545702 is 299452-68-9.
What is the molecular formula of BAS 00545702?
The molecular formula of BAS 00545702 is C21H22BrNO6.
What is the molecular weight of BAS 00545702?
The molecular weight of BAS 00545702 is 463.06 g/mol.
Where can I buy BAS 00545702?
You can request a quote for BAS 00545702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00545702?
Yes, KEHONG BIO provides custom synthesis services for BAS 00545702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.