![ethyl 4-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)butanoate structure](/static/products/877/877796-73-1.png)
ethyl 4-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)butanoate
TL;DR: ethyl 4-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)butanoate (CAS 877796-73-1) is a chemical compound with molecular formula C22H27N3O5S and molecular weight 445.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]butanoate
Also Known As: ethyl 4-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)butanoate, ethyl 4-[3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]butanoate
| Molecular Formula | C22H27N3O5S |
|---|---|
| Molecular Weight | 445.17 g/mol |
| LogP | 3.17987 |
| Topological Polar Surface Area | 99.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.16714 |
| Heavy Atoms | 31 |
| Complexity | 1216.7117 |
Chemical Identifiers
| CAS Number | 877796-73-1 |
|---|---|
| SMILES | CCOC(=O)CCCN1C2=C(C3=C(S2)COC(C3)(C)C)C(=N)N(C1=O)CC4=CC=CO4 |
Product Overview
ethyl 4-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)butanoate (CAS 877796-73-1), with molecular formula C22H27N3O5S and molecular weight 445.17 g/mol. IUPAC: ethyl 4-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]butanoate.
Chemical Property Profile of ethyl 4-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)butanoate
Property Insights of ethyl 4-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)butanoate
The XLogP value of 3.17987 indicates that ethyl 4-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)butanoate. Following Lipinski's Rule of Five, ethyl 4-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)butanoate has 1 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 ethyl 4-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)butanoate?
The CAS number of ethyl 4-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)butanoate is 877796-73-1.
What is the molecular formula of ethyl 4-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)butanoate?
The molecular formula of ethyl 4-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)butanoate is C22H27N3O5S.
What is the molecular weight of ethyl 4-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)butanoate?
The molecular weight of ethyl 4-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)butanoate is 445.17 g/mol.
Where can I buy ethyl 4-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)butanoate?
You can request a quote for ethyl 4-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.