AN-989/40821882
TL;DR: AN-989/40821882 (CAS 306985-87-5) is a chemical compound with molecular formula C31H25N3O4S and molecular weight 535.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-(1H-indol-3-ylmethylidene)-5-(3-methoxyphenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AN-989/40821882, ethyl (2Z)-2-(1H-indol-3-ylmethylidene)-5-(3-methoxyphenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-(1H-indol-3-ylmethylene)-5-(3-methoxyphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 2-((1H-indol-3-yl)methylene)-5-(3-methoxyphenyl)-3-oxo-7-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-(1H-indol-3-ylmethylidene)-5-(3-methoxyphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C31H25N3O4S |
|---|---|
| Molecular Weight | 535.16 g/mol |
| LogP | 4.4255 |
| Topological Polar Surface Area | 85.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 535.15656 |
| Heavy Atoms | 39 |
| Complexity | 1914.5175 |
Chemical Identifiers
| CAS Number | 306985-87-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)OC)C(=O)/C(=C/C4=CNC5=CC=CC=C54)/S2)C6=CC=CC=C6 |
Product Overview
AN-989/40821882 (CAS 306985-87-5), with molecular formula C31H25N3O4S and molecular weight 535.16 g/mol. IUPAC: ethyl (2Z)-2-(1H-indol-3-ylmethylidene)-5-(3-methoxyphenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AN-989/40821882
Property Insights of AN-989/40821882
The XLogP value of 4.4255 indicates that AN-989/40821882 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.68 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/40821882. Following Lipinski's Rule of Five, AN-989/40821882 has 1 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 AN-989/40821882?
The CAS number of AN-989/40821882 is 306985-87-5.
What is the molecular formula of AN-989/40821882?
The molecular formula of AN-989/40821882 is C31H25N3O4S.
What is the molecular weight of AN-989/40821882?
The molecular weight of AN-989/40821882 is 535.16 g/mol.
Where can I buy AN-989/40821882?
You can request a quote for AN-989/40821882 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40821882?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40821882 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.