![3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-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/862/862128-62-9.png)
3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-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: 3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one (CAS 862128-62-9) is a chemical compound with molecular formula C24H25N3O4S and molecular weight 451.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-ylmethyl)-3-imino-6-[(4-methoxyphenyl)methyl]-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: 3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one, 3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-6,6-dimethyl-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one
| Molecular Formula | C24H25N3O4S |
|---|---|
| Molecular Weight | 451.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.1566 |
| Heavy Atoms | 32 |
| Complexity | 726.0 |
Chemical Identifiers
| CAS Number | 862128-62-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=N)N(C(=O)N3CC4=CC=C(C=C4)OC)CC5=CC=CO5)C |
| InChIKey | KULFFYDAIJATCU-UHFFFAOYSA-N |
Product Overview
3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one (CAS 862128-62-9), with molecular formula C24H25N3O4S and molecular weight 451.16 g/mol. IUPAC: 4-(furan-2-ylmethyl)-3-imino-6-[(4-methoxyphenyl)methyl]-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 3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-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 3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-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 3.3 indicates that 3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-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, 3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-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 6 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 3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-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 3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one is 862128-62-9.
What is the molecular formula of 3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-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 3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one is C24H25N3O4S.
What is the molecular weight of 3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-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 3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-6,6-dimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one is 451.16 g/mol.
Where can I buy 3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-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 3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-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 3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-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 3-(furan-2-ylmethyl)-4-imino-1-(4-methoxybenzyl)-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.