![2,2-dimethyl-5-morpholino-10-thioxo-4,9,10,11-tetrahydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one structure](/static/products/587/587003-81-4.png)
2,2-dimethyl-5-morpholino-10-thioxo-4,9,10,11-tetrahydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one
TL;DR: 2,2-dimethyl-5-morpholino-10-thioxo-4,9,10,11-tetrahydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one (CAS 587003-81-4) is a chemical compound with molecular formula C18H20N4O3S2 and molecular weight 404.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-8-morpholin-4-yl-15-sulfanylidene-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17)-tetraen-13-one
Also Known As: 2,2-dimethyl-5-morpholino-10-thioxo-4,9,10,11-tetrahydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one, 2,2-dimethyl-5-(morpholin-4-yl)-10-sulfanyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-ol
| Molecular Formula | C18H20N4O3S2 |
|---|---|
| Molecular Weight | 404.10 g/mol |
| LogP | 2.88329 |
| Topological Polar Surface Area | 83.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 404.0977 |
| Heavy Atoms | 27 |
| Complexity | 1171.2532 |
Chemical Identifiers
| CAS Number | 587003-81-4 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=O)NC(=S)N4)N5CCOCC5)C |
Product Overview
2,2-dimethyl-5-morpholino-10-thioxo-4,9,10,11-tetrahydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one (CAS 587003-81-4), with molecular formula C18H20N4O3S2 and molecular weight 404.10 g/mol. IUPAC: 4,4-dimethyl-8-morpholin-4-yl-15-sulfanylidene-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17)-tetraen-13-one.
Chemical Property Profile of 2,2-dimethyl-5-morpholino-10-thioxo-4,9,10,11-tetrahydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one
Property Insights of 2,2-dimethyl-5-morpholino-10-thioxo-4,9,10,11-tetrahydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one
The XLogP value of 2.88329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-dimethyl-5-morpholino-10-thioxo-4,9,10,11-tetrahydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one. The TPSA of 83.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-dimethyl-5-morpholino-10-thioxo-4,9,10,11-tetrahydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one. Following Lipinski's Rule of Five, 2,2-dimethyl-5-morpholino-10-thioxo-4,9,10,11-tetrahydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one has 2 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 2,2-dimethyl-5-morpholino-10-thioxo-4,9,10,11-tetrahydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one?
The CAS number of 2,2-dimethyl-5-morpholino-10-thioxo-4,9,10,11-tetrahydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one is 587003-81-4.
What is the molecular formula of 2,2-dimethyl-5-morpholino-10-thioxo-4,9,10,11-tetrahydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one?
The molecular formula of 2,2-dimethyl-5-morpholino-10-thioxo-4,9,10,11-tetrahydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one is C18H20N4O3S2.
What is the molecular weight of 2,2-dimethyl-5-morpholino-10-thioxo-4,9,10,11-tetrahydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one?
The molecular weight of 2,2-dimethyl-5-morpholino-10-thioxo-4,9,10,11-tetrahydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one is 404.10 g/mol.
Where can I buy 2,2-dimethyl-5-morpholino-10-thioxo-4,9,10,11-tetrahydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one?
You can request a quote for 2,2-dimethyl-5-morpholino-10-thioxo-4,9,10,11-tetrahydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-5-morpholino-10-thioxo-4,9,10,11-tetrahydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-5-morpholino-10-thioxo-4,9,10,11-tetrahydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.