AN-648/12904012
TL;DR: AN-648/12904012 (CAS 292641-94-2) is a chemical compound with molecular formula C31H30FN3O5S and molecular weight 575.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-(2,5-dimethoxyphenyl)-2-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AN-648/12904012, ethyl (2Z)-5-(2,5-dimethoxyphenyl)-2-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ETHYL (2Z)-5-(2,5-DIMETHOXYPHENYL)-2-{[1-(4-FLUOROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]METHYLIDENE}-7-METHYL-3-OXO-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE, ethyl 5-(2,5-dimethoxyphenyl)-2-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 5-(2,5-dimethoxyphenyl)-2-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C31H30FN3O5S |
|---|---|
| Molecular Weight | 575.19 g/mol |
| LogP | 4.36214 |
| Topological Polar Surface Area | 84.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 575.189 |
| Heavy Atoms | 41 |
| Complexity | 1864.7407 |
Chemical Identifiers
| CAS Number | 292641-94-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC(=C3)OC)OC)C(=O)/C(=C/C4=C(N(C(=C4)C)C5=CC=C(C=C5)F)C)/S2)C |
Product Overview
AN-648/12904012 (CAS 292641-94-2), with molecular formula C31H30FN3O5S and molecular weight 575.19 g/mol. IUPAC: ethyl (2Z)-5-(2,5-dimethoxyphenyl)-2-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AN-648/12904012
Property Insights of AN-648/12904012
The XLogP value of 4.36214 indicates that AN-648/12904012 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.05 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/12904012. Following Lipinski's Rule of Five, AN-648/12904012 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 AN-648/12904012?
The CAS number of AN-648/12904012 is 292641-94-2.
What is the molecular formula of AN-648/12904012?
The molecular formula of AN-648/12904012 is C31H30FN3O5S.
What is the molecular weight of AN-648/12904012?
The molecular weight of AN-648/12904012 is 575.19 g/mol.
Where can I buy AN-648/12904012?
You can request a quote for AN-648/12904012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/12904012?
Yes, KEHONG BIO provides custom synthesis services for AN-648/12904012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.