BAS 00778996
TL;DR: BAS 00778996 (CAS 324074-00-2) is a chemical compound with molecular formula C27H24N4O6S and molecular weight 532.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-7-methyl-5-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-propylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00778996, ethyl 5-{3-nitrophenyl}-7-methyl-3-oxo-2-(2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-7-methyl-5-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-propylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-7-methyl-5-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-propylindolin-3-ylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C27H24N4O6S |
|---|---|
| Molecular Weight | 532.14 g/mol |
| LogP | 2.8333 |
| Topological Polar Surface Area | 124.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.14166 |
| Heavy Atoms | 38 |
| Complexity | 1717.3009 |
Chemical Identifiers
| CAS Number | 324074-00-2 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2/C(=C/3\C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C5=CC(=CC=C5)[N+](=O)[O-])/C1=O |
Product Overview
BAS 00778996 (CAS 324074-00-2), with molecular formula C27H24N4O6S and molecular weight 532.14 g/mol. IUPAC: ethyl (2Z)-7-methyl-5-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-propylindol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00778996
Property Insights of BAS 00778996
The XLogP value of 2.8333 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00778996. The TPSA of 124.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00778996. Following Lipinski's Rule of Five, BAS 00778996 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00778996?
The CAS number of BAS 00778996 is 324074-00-2.
What is the molecular formula of BAS 00778996?
The molecular formula of BAS 00778996 is C27H24N4O6S.
What is the molecular weight of BAS 00778996?
The molecular weight of BAS 00778996 is 532.14 g/mol.
Where can I buy BAS 00778996?
You can request a quote for BAS 00778996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00778996?
Yes, KEHONG BIO provides custom synthesis services for BAS 00778996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.