![3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-pentyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one structure](/static/products/850/850718-85-3.png)
3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-pentyl-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-6,6-dimethyl-1-pentyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one (CAS 850718-85-3) is a chemical compound with molecular formula C21H27N3O3S and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-6-pentyl-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-6,6-dimethyl-1-pentyl-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-6,6-dimethyl-1-pentyl-3,4,5,6-tetrahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2(8H)-one
| Molecular Formula | C21H27N3O3S |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 4.02677 |
| Topological Polar Surface Area | 73.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.1773 |
| Heavy Atoms | 28 |
| Complexity | 1102.8015 |
Chemical Identifiers
| CAS Number | 850718-85-3 |
|---|---|
| SMILES | CCCCCN1C2=C(C3=C(S2)COC(C3)(C)C)C(=N)N(C1=O)CC4=CC=CO4 |
Product Overview
3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-pentyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one (CAS 850718-85-3), with molecular formula C21H27N3O3S and molecular weight 401.18 g/mol. IUPAC: 4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-6-pentyl-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-6,6-dimethyl-1-pentyl-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-6,6-dimethyl-1-pentyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one
The XLogP value of 4.02677 indicates that 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-pentyl-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 73.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-pentyl-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-6,6-dimethyl-1-pentyl-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 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-pentyl-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-6,6-dimethyl-1-pentyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one is 850718-85-3.
What is the molecular formula of 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-pentyl-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-6,6-dimethyl-1-pentyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one is C21H27N3O3S.
What is the molecular weight of 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-pentyl-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-6,6-dimethyl-1-pentyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one is 401.18 g/mol.
Where can I buy 3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-1-pentyl-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-6,6-dimethyl-1-pentyl-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-6,6-dimethyl-1-pentyl-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-6,6-dimethyl-1-pentyl-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.