BAS 00780953
TL;DR: BAS 00780953 (CAS 324568-11-8) is a chemical compound with molecular formula C29H29N3O4S and molecular weight 515.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-(4-tert-butylphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00780953, ethyl (2Z)-5-(4-tert-butylphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 5-(4-(tert-butyl)phenyl)-7-methyl-2-(1-methyl-2-oxoindolin-3-ylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-5-(4-tert-butylphenyl)-7-methyl-2-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 5-(4-tert-butylphenyl)-7-methyl-2-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C29H29N3O4S |
|---|---|
| Molecular Weight | 515.19 g/mol |
| LogP | 3.4424 |
| Topological Polar Surface Area | 80.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 515.18787 |
| Heavy Atoms | 37 |
| Complexity | 1652.4625 |
Chemical Identifiers
| CAS Number | 324568-11-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C(C)(C)C)C(=O)/C(=C/4\C5=CC=CC=C5N(C4=O)C)/S2)C |
Product Overview
BAS 00780953 (CAS 324568-11-8), with molecular formula C29H29N3O4S and molecular weight 515.19 g/mol. IUPAC: ethyl (2Z)-5-(4-tert-butylphenyl)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of BAS 00780953
Property Insights of BAS 00780953
The XLogP value of 3.4424 indicates that BAS 00780953 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.97 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00780953. Following Lipinski's Rule of Five, BAS 00780953 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00780953?
The CAS number of BAS 00780953 is 324568-11-8.
What is the molecular formula of BAS 00780953?
The molecular formula of BAS 00780953 is C29H29N3O4S.
What is the molecular weight of BAS 00780953?
The molecular weight of BAS 00780953 is 515.19 g/mol.
Where can I buy BAS 00780953?
You can request a quote for BAS 00780953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00780953?
Yes, KEHONG BIO provides custom synthesis services for BAS 00780953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.