![3-(2-furylmethyl)-2-[(4-nitrophenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one structure](/static/products/678/678561-57-4.png)
3-(2-furylmethyl)-2-[(4-nitrophenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one
TL;DR: 3-(2-furylmethyl)-2-[(4-nitrophenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one (CAS 678561-57-4) is a chemical compound with molecular formula C22H19N3O4S2 and molecular weight 453.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-ylmethyl)-2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 3-(2-furylmethyl)-2-[(4-nitrophenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one, 3-(furan-2-ylmethyl)-2-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-(furan-2-ylmethyl)-2-[(4-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(furan-2-ylmethyl)-2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 4-(furan-2-ylmethyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C22H19N3O4S2 |
|---|---|
| Molecular Weight | 453.08 g/mol |
| LogP | 5.1786 |
| Topological Polar Surface Area | 91.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.0817 |
| Heavy Atoms | 31 |
| Complexity | 1307.5282 |
Chemical Identifiers
| CAS Number | 678561-57-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=CO4)SCC5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
3-(2-furylmethyl)-2-[(4-nitrophenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one (CAS 678561-57-4), with molecular formula C22H19N3O4S2 and molecular weight 453.08 g/mol. IUPAC: 3-(furan-2-ylmethyl)-2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-(2-furylmethyl)-2-[(4-nitrophenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one
Property Insights of 3-(2-furylmethyl)-2-[(4-nitrophenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one
The XLogP value of 5.1786 indicates that 3-(2-furylmethyl)-2-[(4-nitrophenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-furylmethyl)-2-[(4-nitrophenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-(2-furylmethyl)-2-[(4-nitrophenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-furylmethyl)-2-[(4-nitrophenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one?
The CAS number of 3-(2-furylmethyl)-2-[(4-nitrophenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one is 678561-57-4.
What is the molecular formula of 3-(2-furylmethyl)-2-[(4-nitrophenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one?
The molecular formula of 3-(2-furylmethyl)-2-[(4-nitrophenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one is C22H19N3O4S2.
What is the molecular weight of 3-(2-furylmethyl)-2-[(4-nitrophenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one?
The molecular weight of 3-(2-furylmethyl)-2-[(4-nitrophenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one is 453.08 g/mol.
Where can I buy 3-(2-furylmethyl)-2-[(4-nitrophenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one?
You can request a quote for 3-(2-furylmethyl)-2-[(4-nitrophenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-furylmethyl)-2-[(4-nitrophenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-furylmethyl)-2-[(4-nitrophenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.