![1-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}ethanone structure](/static/products/713/713129-66-9.png)
1-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}ethanone
TL;DR: 1-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}ethanone (CAS 713129-66-9) is a chemical compound with molecular formula C18H13N3O2 and molecular weight 303.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone
Also Known As: 1-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone, 1-(4-(benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl)ethanone, 1-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}ethanone
| Molecular Formula | C18H13N3O2 |
|---|---|
| Molecular Weight | 303.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.10077 |
| Heavy Atoms | 23 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 713129-66-9 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2OC4=CC=CC=C43 |
| InChIKey | PBTVTHDWIQBZEY-UHFFFAOYSA-N |
Product Overview
1-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}ethanone (CAS 713129-66-9), with molecular formula C18H13N3O2 and molecular weight 303.10 g/mol. IUPAC: 1-[4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone.
Chemical Property Profile of 1-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}ethanone
Property Insights of 1-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}ethanone
The XLogP value of 3.6 indicates that 1-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}ethanone. Following Lipinski's Rule of Five, 1-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}ethanone 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 1-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}ethanone?
The CAS number of 1-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}ethanone is 713129-66-9.
What is the molecular formula of 1-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}ethanone?
The molecular formula of 1-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}ethanone is C18H13N3O2.
What is the molecular weight of 1-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}ethanone?
The molecular weight of 1-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}ethanone is 303.10 g/mol.
Where can I buy 1-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}ethanone?
You can request a quote for 1-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]phenyl}ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.