BAS 04378048
TL;DR: BAS 04378048 (CAS 346714-85-0) is a chemical compound with molecular formula C23H21NO5S and molecular weight 423.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 04378048, BIM-0022052.P001, methyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C23H21NO5S |
|---|---|
| Molecular Weight | 423.11 g/mol |
| LogP | 4.0114 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.11404 |
| Heavy Atoms | 30 |
| Complexity | 1098.8016 |
Chemical Identifiers
| CAS Number | 346714-85-0 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5)C(=O)OC |
Product Overview
BAS 04378048 (CAS 346714-85-0), with molecular formula C23H21NO5S and molecular weight 423.11 g/mol. IUPAC: methyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 04378048
Property Insights of BAS 04378048
The XLogP value of 4.0114 indicates that BAS 04378048 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04378048. Following Lipinski's Rule of Five, BAS 04378048 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 04378048?
The CAS number of BAS 04378048 is 346714-85-0.
What is the molecular formula of BAS 04378048?
The molecular formula of BAS 04378048 is C23H21NO5S.
What is the molecular weight of BAS 04378048?
The molecular weight of BAS 04378048 is 423.11 g/mol.
Where can I buy BAS 04378048?
You can request a quote for BAS 04378048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04378048?
Yes, KEHONG BIO provides custom synthesis services for BAS 04378048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.