![ethyl 4-(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)benzoate structure](/static/products/498/498571-07-6.png)
ethyl 4-(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)benzoate
TL;DR: ethyl 4-(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)benzoate (CAS 498571-07-6) is a chemical compound with molecular formula C27H28N4O5S and molecular weight 520.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(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)benzoate
Also Known As: ethyl 4-(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)benzoate, ethyl 4-[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]benzoate
| Molecular Formula | C27H28N4O5S |
|---|---|
| Molecular Weight | 520.18 g/mol |
| LogP | 3.86 |
| Topological Polar Surface Area | 95.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 520.17804 |
| Heavy Atoms | 37 |
| Complexity | 1568.2548 |
Chemical Identifiers
| CAS Number | 498571-07-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C=NC3=C(C2=O)SC4=C3C5=C(COC(C5)(C)C)C(=N4)N6CCOCC6 |
Product Overview
ethyl 4-(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)benzoate (CAS 498571-07-6), with molecular formula C27H28N4O5S and molecular weight 520.18 g/mol. IUPAC: ethyl 4-(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)benzoate.
Chemical Property Profile of ethyl 4-(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)benzoate
Property Insights of ethyl 4-(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)benzoate
The XLogP value of 3.86 indicates that ethyl 4-(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)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(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)benzoate. Following Lipinski's Rule of Five, ethyl 4-(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)benzoate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-(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)benzoate?
The CAS number of ethyl 4-(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)benzoate is 498571-07-6.
What is the molecular formula of ethyl 4-(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)benzoate?
The molecular formula of ethyl 4-(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)benzoate is C27H28N4O5S.
What is the molecular weight of ethyl 4-(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)benzoate?
The molecular weight of ethyl 4-(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)benzoate is 520.18 g/mol.
Where can I buy ethyl 4-(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)benzoate?
You can request a quote for ethyl 4-(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)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(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)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(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)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.