![isobutyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/836/836642-18-3.png)
isobutyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: isobutyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 836642-18-3) is a chemical compound with molecular formula C22H26N2O6S and molecular weight 446.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 5-(4-acetyloxy-3-methoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: isobutyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, 2-methylpropyl 5-(4-acetyloxy-3-methoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, 2-methylpropyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, 2-METHYLPROPYL 5-[4-(ACETYLOXY)-3-METHOXYPHENYL]-2,7-DIMETHYL-3-OXO-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE, isobutyl 5-(4-acetoxy-3-methoxyphenyl)-2,7-dimethyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C22H26N2O6S |
|---|---|
| Molecular Weight | 446.15 g/mol |
| LogP | 3.4683 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.15115 |
| Heavy Atoms | 31 |
| Complexity | 984.21326 |
Chemical Identifiers
| CAS Number | 836642-18-3 |
|---|---|
| SMILES | CC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OCC(C)C)C3=CC(=C(C=C3)OC(=O)C)OC |
Product Overview
isobutyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 836642-18-3), with molecular formula C22H26N2O6S and molecular weight 446.15 g/mol. IUPAC: 2-methylpropyl 5-(4-acetyloxy-3-methoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of isobutyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of isobutyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 3.4683 indicates that isobutyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for isobutyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, isobutyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 8 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 isobutyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of isobutyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 836642-18-3.
What is the molecular formula of isobutyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of isobutyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C22H26N2O6S.
What is the molecular weight of isobutyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of isobutyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 446.15 g/mol.
Where can I buy isobutyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for isobutyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isobutyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isobutyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.