BAS 03426048
TL;DR: BAS 03426048 (CAS 4657-79-8) is a chemical compound with molecular formula C23H20N4O5S2 and molecular weight 496.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(2-hydroxyethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 03426048, 3-({3-[(2H-1,3-Benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-[(2-hydroxyethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, 3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(2-hydroxyethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C23H20N4O5S2 |
|---|---|
| Molecular Weight | 496.09 g/mol |
| LogP | 2.53722 |
| Topological Polar Surface Area | 105.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.08752 |
| Heavy Atoms | 34 |
| Complexity | 1418.4713 |
Chemical Identifiers
| CAS Number | 4657-79-8 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)NCCO |
Product Overview
BAS 03426048 (CAS 4657-79-8), with molecular formula C23H20N4O5S2 and molecular weight 496.09 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(2-hydroxyethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 03426048
Property Insights of BAS 03426048
The XLogP value of 2.53722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03426048. The TPSA of 105.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03426048. Following Lipinski's Rule of Five, BAS 03426048 has 2 hydrogen bond donor(s) and 9 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 03426048?
The CAS number of BAS 03426048 is 4657-79-8.
What is the molecular formula of BAS 03426048?
The molecular formula of BAS 03426048 is C23H20N4O5S2.
What is the molecular weight of BAS 03426048?
The molecular weight of BAS 03426048 is 496.09 g/mol.
Where can I buy BAS 03426048?
You can request a quote for BAS 03426048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03426048?
Yes, KEHONG BIO provides custom synthesis services for BAS 03426048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.