AN-648/15596113
TL;DR: AN-648/15596113 (CAS 428501-94-4) is a chemical compound with molecular formula C24H21N3O7S and molecular weight 495.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-7-methyl-2-[(5-nitrofuran-2-yl)methylidene]-3-oxo-5-(4-prop-2-enoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AN-648/15596113, ethyl (2Z)-7-methyl-2-[(5-nitrofuran-2-yl)methylidene]-3-oxo-5-(4-prop-2-enoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 5-[4-(allyloxy)phenyl]-2-({5-nitro-2-furyl}methylene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 5-(4-(allyloxy)phenyl)-7-methyl-2-((5-nitrofuran-2-yl)methylene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C24H21N3O7S |
|---|---|
| Molecular Weight | 495.11 g/mol |
| LogP | 2.8643 |
| Topological Polar Surface Area | 126.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.11002 |
| Heavy Atoms | 35 |
| Complexity | 1509.3613 |
Chemical Identifiers
| CAS Number | 428501-94-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OCC=C)C(=O)/C(=C/C4=CC=C(O4)[N+](=O)[O-])/S2)C |
Product Overview
AN-648/15596113 (CAS 428501-94-4), with molecular formula C24H21N3O7S and molecular weight 495.11 g/mol. IUPAC: ethyl (2Z)-7-methyl-2-[(5-nitrofuran-2-yl)methylidene]-3-oxo-5-(4-prop-2-enoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AN-648/15596113
Property Insights of AN-648/15596113
The XLogP value of 2.8643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-648/15596113. The TPSA of 126.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/15596113. Following Lipinski's Rule of Five, AN-648/15596113 has 0 hydrogen bond donor(s) and 9 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-648/15596113?
The CAS number of AN-648/15596113 is 428501-94-4.
What is the molecular formula of AN-648/15596113?
The molecular formula of AN-648/15596113 is C24H21N3O7S.
What is the molecular weight of AN-648/15596113?
The molecular weight of AN-648/15596113 is 495.11 g/mol.
Where can I buy AN-648/15596113?
You can request a quote for AN-648/15596113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/15596113?
Yes, KEHONG BIO provides custom synthesis services for AN-648/15596113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.