BAS 00381472
TL;DR: BAS 00381472 (CAS 299407-02-6) is a chemical compound with molecular formula C20H21NO5 and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00381472, BIM-0020067.P001, ethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, ethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, ethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 2.9463 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.14197 |
| Heavy Atoms | 26 |
| Complexity | 851.75757 |
Chemical Identifiers
| CAS Number | 299407-02-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CCC2)C |
Product Overview
BAS 00381472 (CAS 299407-02-6), with molecular formula C20H21NO5 and molecular weight 355.14 g/mol. IUPAC: ethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00381472
Property Insights of BAS 00381472
The XLogP value of 2.9463 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00381472. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00381472. Following Lipinski's Rule of Five, BAS 00381472 has 1 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 00381472?
The CAS number of BAS 00381472 is 299407-02-6.
What is the molecular formula of BAS 00381472?
The molecular formula of BAS 00381472 is C20H21NO5.
What is the molecular weight of BAS 00381472?
The molecular weight of BAS 00381472 is 355.14 g/mol.
Where can I buy BAS 00381472?
You can request a quote for BAS 00381472 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00381472?
Yes, KEHONG BIO provides custom synthesis services for BAS 00381472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.