![3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](/static/products/3843/384359-31-3.webp)
3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
TL;DR: 3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one (CAS 384359-31-3) is a chemical compound with molecular formula C21H16N4O4S and molecular weight 420.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, (E)-3-(((5-(3-nitrophenyl)furan-2-yl)methylene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-({(E)-[5-(3-nitrophenyl)furan-2-yl]methylidene}amino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C21H16N4O4S |
|---|---|
| Molecular Weight | 420.09 g/mol |
| LogP | 4.3872 |
| Topological Polar Surface Area | 103.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.08923 |
| Heavy Atoms | 30 |
| Complexity | 1365.0941 |
Chemical Identifiers
| CAS Number | 384359-31-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)/N=C/C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one (CAS 384359-31-3), with molecular formula C21H16N4O4S and molecular weight 420.09 g/mol. IUPAC: 3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Property Insights of 3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
The XLogP value of 4.3872 indicates that 3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one has 0 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 3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The CAS number of 3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is 384359-31-3.
What is the molecular formula of 3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The molecular formula of 3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is C21H16N4O4S.
What is the molecular weight of 3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The molecular weight of 3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is 420.09 g/mol.
Where can I buy 3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
You can request a quote for 3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[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-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.