BAS 00778499
TL;DR: BAS 00778499 (CAS 324071-36-5) is a chemical compound with molecular formula C21H16N2O5S2 and molecular weight 440.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00778499, AB00099373-01, F1425-0725, (E)-methyl 2-(benzo[d][1,3]dioxol-5-ylmethylene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C21H16N2O5S2 |
|---|---|
| Molecular Weight | 440.05 g/mol |
| LogP | 2.1984 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.05005 |
| Heavy Atoms | 30 |
| Complexity | 1365.2467 |
Chemical Identifiers
| CAS Number | 324071-36-5 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/SC2=N1)C5=CC=CS5)C(=O)OC |
Product Overview
BAS 00778499 (CAS 324071-36-5), with molecular formula C21H16N2O5S2 and molecular weight 440.05 g/mol. IUPAC: methyl (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00778499
Property Insights of BAS 00778499
The XLogP value of 2.1984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00778499. The TPSA of 79.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00778499. Following Lipinski's Rule of Five, BAS 00778499 has 0 hydrogen bond donor(s) and 8 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 00778499?
The CAS number of BAS 00778499 is 324071-36-5.
What is the molecular formula of BAS 00778499?
The molecular formula of BAS 00778499 is C21H16N2O5S2.
What is the molecular weight of BAS 00778499?
The molecular weight of BAS 00778499 is 440.05 g/mol.
Where can I buy BAS 00778499?
You can request a quote for BAS 00778499 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00778499?
Yes, KEHONG BIO provides custom synthesis services for BAS 00778499 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.