BAS 00780970
TL;DR: BAS 00780970 (CAS 324568-60-7) is a chemical compound with molecular formula C25H18ClN3O5S and molecular weight 507.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-(1-acetyl-2-oxoindol-3-ylidene)-5-(2-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00780970, methyl (2Z)-2-(1-acetyl-2-oxoindol-3-ylidene)-5-(2-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl (2Z)-2-(1-acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-5-(2-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-methyl 2-(1-acetyl-2-oxoindolin-3-ylidene)-5-(2-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl 2-(1-acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-5-(2-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C25H18ClN3O5S |
|---|---|
| Molecular Weight | 507.07 g/mol |
| LogP | 2.3249 |
| Topological Polar Surface Area | 98.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 507.06558 |
| Heavy Atoms | 35 |
| Complexity | 1666.3761 |
Chemical Identifiers
| CAS Number | 324568-60-7 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)C(=O)C)/SC2=N1)C5=CC=CC=C5Cl)C(=O)OC |
Product Overview
BAS 00780970 (CAS 324568-60-7), with molecular formula C25H18ClN3O5S and molecular weight 507.07 g/mol. IUPAC: methyl (2Z)-2-(1-acetyl-2-oxoindol-3-ylidene)-5-(2-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00780970
Property Insights of BAS 00780970
The XLogP value of 2.3249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00780970. The TPSA of 98.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00780970. Following Lipinski's Rule of Five, BAS 00780970 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00780970?
The CAS number of BAS 00780970 is 324568-60-7.
What is the molecular formula of BAS 00780970?
The molecular formula of BAS 00780970 is C25H18ClN3O5S.
What is the molecular weight of BAS 00780970?
The molecular weight of BAS 00780970 is 507.07 g/mol.
Where can I buy BAS 00780970?
You can request a quote for BAS 00780970 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00780970?
Yes, KEHONG BIO provides custom synthesis services for BAS 00780970 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.