![1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one structure](/static/products/848/848991-90-2.png)
1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one
TL;DR: 1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one (CAS 848991-90-2) is a chemical compound with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-one
Also Known As: 1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one, 1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one, 1-Ethyl-3-furan-2-ylmethyl-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-pyrano[4',3':4,5]thieno[2,3-d]pyri midin-2-one
| Molecular Formula | C18H21N3O3S |
|---|---|
| Molecular Weight | 359.13 g/mol |
| LogP | 2.85647 |
| Topological Polar Surface Area | 73.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.13037 |
| Heavy Atoms | 25 |
| Complexity | 1054.0967 |
Chemical Identifiers
| CAS Number | 848991-90-2 |
|---|---|
| SMILES | CCN1C2=C(C3=C(S2)COC(C3)(C)C)C(=N)N(C1=O)CC4=CC=CO4 |
Product Overview
1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one (CAS 848991-90-2), with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol. IUPAC: 6-ethyl-4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-one.
Chemical Property Profile of 1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one
Property Insights of 1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one
The XLogP value of 2.85647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one. The TPSA of 73.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one. Following Lipinski's Rule of Five, 1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one has 1 hydrogen bond donor(s) and 5 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 1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one?
The CAS number of 1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one is 848991-90-2.
What is the molecular formula of 1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one?
The molecular formula of 1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one is C18H21N3O3S.
What is the molecular weight of 1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one?
The molecular weight of 1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one is 359.13 g/mol.
Where can I buy 1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one?
You can request a quote for 1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.