RefChem:816683
TL;DR: RefChem:816683 (CAS 617698-49-4) is a chemical compound with molecular formula C20H22N2O6S and molecular weight 418.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-acetyloxy-3-methoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 06260657, Methyl 5-(4-acetoxy-3-methoxyphenyl)-2-ethyl-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl 5-[4-(acetyloxy)-3-methoxyphenyl]-2-ethyl-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, 638-640-3, METHYL 5-(4-(ACETYLOXY)-3-METHOXYPHENYL)-2-ETHYL-7-METHYL-3-OXO-2,3-DIHYDRO-5H-(1,3)THIAZOLO(3,2-A)PYRIMIDINE-6-CARBOXYLATE
| Molecular Formula | C20H22N2O6S |
|---|---|
| Molecular Weight | 418.12 g/mol |
| LogP | 2.8322 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.11984 |
| Heavy Atoms | 29 |
| Complexity | 938.8992 |
Chemical Identifiers
| CAS Number | 617698-49-4 |
|---|---|
| SMILES | CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OC)C3=CC(=C(C=C3)OC(=O)C)OC |
Product Overview
RefChem:816683 (CAS 617698-49-4), with molecular formula C20H22N2O6S and molecular weight 418.12 g/mol. IUPAC: methyl 5-(4-acetyloxy-3-methoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of RefChem:816683
Property Insights of RefChem:816683
The XLogP value of 2.8322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:816683. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:816683. Following Lipinski's Rule of Five, RefChem:816683 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 RefChem:816683?
The CAS number of RefChem:816683 is 617698-49-4.
What is the molecular formula of RefChem:816683?
The molecular formula of RefChem:816683 is C20H22N2O6S.
What is the molecular weight of RefChem:816683?
The molecular weight of RefChem:816683 is 418.12 g/mol.
Where can I buy RefChem:816683?
You can request a quote for RefChem:816683 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:816683?
Yes, KEHONG BIO provides custom synthesis services for RefChem:816683 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.