![ethyl 2-(2,2-dimethyl-5-morpholino-8-oxo-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(2H,4H,8H)-yl)acetate structure](/static/products/3694/369401-68-3.webp)
ethyl 2-(2,2-dimethyl-5-morpholino-8-oxo-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(2H,4H,8H)-yl)acetate
TL;DR: ethyl 2-(2,2-dimethyl-5-morpholino-8-oxo-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(2H,4H,8H)-yl)acetate (CAS 369401-68-3) is a chemical compound with molecular formula C22H26N4O5S and molecular weight 458.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4,4-dimethyl-8-morpholin-4-yl-13-oxo-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl)acetate
Also Known As: ethyl 2-(2,2-dimethyl-5-morpholino-8-oxo-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(2H,4H,8H)-yl)acetate, ethyl [2,2-dimethyl-5-(morpholin-4-yl)-8-oxo-1,8-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(4H)-yl]acetate
| Molecular Formula | C22H26N4O5S |
|---|---|
| Molecular Weight | 458.16 g/mol |
| LogP | 2.2572 |
| Topological Polar Surface Area | 95.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.16238 |
| Heavy Atoms | 32 |
| Complexity | 1258.9032 |
Chemical Identifiers
| CAS Number | 369401-68-3 |
|---|---|
| SMILES | CCOC(=O)CN1C=NC2=C(C1=O)SC3=C2C4=C(COC(C4)(C)C)C(=N3)N5CCOCC5 |
Product Overview
ethyl 2-(2,2-dimethyl-5-morpholino-8-oxo-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(2H,4H,8H)-yl)acetate (CAS 369401-68-3), with molecular formula C22H26N4O5S and molecular weight 458.16 g/mol. IUPAC: ethyl 2-(4,4-dimethyl-8-morpholin-4-yl-13-oxo-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl)acetate.
Chemical Property Profile of ethyl 2-(2,2-dimethyl-5-morpholino-8-oxo-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(2H,4H,8H)-yl)acetate
Property Insights of ethyl 2-(2,2-dimethyl-5-morpholino-8-oxo-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(2H,4H,8H)-yl)acetate
The XLogP value of 2.2572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(2,2-dimethyl-5-morpholino-8-oxo-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(2H,4H,8H)-yl)acetate. The TPSA of 95.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2,2-dimethyl-5-morpholino-8-oxo-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(2H,4H,8H)-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(2,2-dimethyl-5-morpholino-8-oxo-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(2H,4H,8H)-yl)acetate 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 ethyl 2-(2,2-dimethyl-5-morpholino-8-oxo-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(2H,4H,8H)-yl)acetate?
The CAS number of ethyl 2-(2,2-dimethyl-5-morpholino-8-oxo-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(2H,4H,8H)-yl)acetate is 369401-68-3.
What is the molecular formula of ethyl 2-(2,2-dimethyl-5-morpholino-8-oxo-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(2H,4H,8H)-yl)acetate?
The molecular formula of ethyl 2-(2,2-dimethyl-5-morpholino-8-oxo-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(2H,4H,8H)-yl)acetate is C22H26N4O5S.
What is the molecular weight of ethyl 2-(2,2-dimethyl-5-morpholino-8-oxo-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(2H,4H,8H)-yl)acetate?
The molecular weight of ethyl 2-(2,2-dimethyl-5-morpholino-8-oxo-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(2H,4H,8H)-yl)acetate is 458.16 g/mol.
Where can I buy ethyl 2-(2,2-dimethyl-5-morpholino-8-oxo-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(2H,4H,8H)-yl)acetate?
You can request a quote for ethyl 2-(2,2-dimethyl-5-morpholino-8-oxo-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(2H,4H,8H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(2,2-dimethyl-5-morpholino-8-oxo-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(2H,4H,8H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2,2-dimethyl-5-morpholino-8-oxo-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9(2H,4H,8H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.