ChemDiv1_026272
TL;DR: ChemDiv1_026272 (CAS 305866-79-9) is a chemical compound with molecular formula C22H18N2O5S and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(1,3-benzodioxol-5-yl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ChemDiv1_026272, BIM-0038852.P001, A2150/0090329, ethyl 5-(1,3-benzodioxol-5-yl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 5-(1,3-benzodioxol-5-yl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C22H18N2O5S |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 3.3758 |
| Topological Polar Surface Area | 77.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.09363 |
| Heavy Atoms | 30 |
| Complexity | 1095.9617 |
Chemical Identifiers
| CAS Number | 305866-79-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)CS2)C5=CC=CC=C5 |
Product Overview
ChemDiv1_026272 (CAS 305866-79-9), with molecular formula C22H18N2O5S and molecular weight 422.09 g/mol. IUPAC: ethyl 5-(1,3-benzodioxol-5-yl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ChemDiv1_026272
Property Insights of ChemDiv1_026272
The XLogP value of 3.3758 indicates that ChemDiv1_026272 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_026272. Following Lipinski's Rule of Five, ChemDiv1_026272 has 0 hydrogen bond donor(s) and 7 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 ChemDiv1_026272?
The CAS number of ChemDiv1_026272 is 305866-79-9.
What is the molecular formula of ChemDiv1_026272?
The molecular formula of ChemDiv1_026272 is C22H18N2O5S.
What is the molecular weight of ChemDiv1_026272?
The molecular weight of ChemDiv1_026272 is 422.09 g/mol.
Where can I buy ChemDiv1_026272?
You can request a quote for ChemDiv1_026272 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026272?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.