AN-989/40821738
TL;DR: AN-989/40821738 (CAS 431977-46-7) is a chemical compound with molecular formula C28H23N3O4S and molecular weight 497.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-(3-methoxyphenyl)-3-oxo-7-phenyl-2-(pyridin-3-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AN-989/40821738, ethyl (2Z)-5-(3-methoxyphenyl)-3-oxo-7-phenyl-2-(pyridin-3-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 5-(3-methoxyphenyl)-3-oxo-7-phenyl-2-(3-pyridinylmethylene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 5-(3-methoxyphenyl)-3-oxo-7-phenyl-2-(pyridin-3-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-5-(3-methoxyphenyl)-3-oxo-7-phenyl-2-(pyridin-3-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C28H23N3O4S |
|---|---|
| Molecular Weight | 497.14 g/mol |
| LogP | 3.3392 |
| Topological Polar Surface Area | 82.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.14093 |
| Heavy Atoms | 36 |
| Complexity | 1622.763 |
Chemical Identifiers
| CAS Number | 431977-46-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)OC)C(=O)/C(=C/C4=CN=CC=C4)/S2)C5=CC=CC=C5 |
Product Overview
AN-989/40821738 (CAS 431977-46-7), with molecular formula C28H23N3O4S and molecular weight 497.14 g/mol. IUPAC: ethyl (2Z)-5-(3-methoxyphenyl)-3-oxo-7-phenyl-2-(pyridin-3-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AN-989/40821738
Property Insights of AN-989/40821738
The XLogP value of 3.3392 indicates that AN-989/40821738 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/40821738. Following Lipinski's Rule of Five, AN-989/40821738 has 0 hydrogen bond donor(s) and 7 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 AN-989/40821738?
The CAS number of AN-989/40821738 is 431977-46-7.
What is the molecular formula of AN-989/40821738?
The molecular formula of AN-989/40821738 is C28H23N3O4S.
What is the molecular weight of AN-989/40821738?
The molecular weight of AN-989/40821738 is 497.14 g/mol.
Where can I buy AN-989/40821738?
You can request a quote for AN-989/40821738 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40821738?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40821738 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.