AN-648/13480042
TL;DR: AN-648/13480042 (CAS 353508-95-9) is a chemical compound with molecular formula C22H18BrN3O3S and molecular weight 483.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-(4-bromophenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AN-648/13480042, ethyl (2Z)-5-(4-bromophenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 5-(4-bromophenyl)-7-methyl-3-oxo-2-(3-pyridinylmethylene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 5-(4-bromophenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C22H18BrN3O3S |
|---|---|
| Molecular Weight | 483.03 g/mol |
| LogP | 2.9558 |
| Topological Polar Surface Area | 73.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 483.02524 |
| Heavy Atoms | 30 |
| Complexity | 1308.3978 |
Chemical Identifiers
| CAS Number | 353508-95-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Br)C(=O)/C(=C/C4=CN=CC=C4)/S2)C |
Product Overview
AN-648/13480042 (CAS 353508-95-9), with molecular formula C22H18BrN3O3S and molecular weight 483.03 g/mol. IUPAC: ethyl (2Z)-5-(4-bromophenyl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AN-648/13480042
Property Insights of AN-648/13480042
The XLogP value of 2.9558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-648/13480042. The TPSA of 73.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/13480042. Following Lipinski's Rule of Five, AN-648/13480042 has 0 hydrogen bond donor(s) and 6 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-648/13480042?
The CAS number of AN-648/13480042 is 353508-95-9.
What is the molecular formula of AN-648/13480042?
The molecular formula of AN-648/13480042 is C22H18BrN3O3S.
What is the molecular weight of AN-648/13480042?
The molecular weight of AN-648/13480042 is 483.03 g/mol.
Where can I buy AN-648/13480042?
You can request a quote for AN-648/13480042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/13480042?
Yes, KEHONG BIO provides custom synthesis services for AN-648/13480042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.