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3-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one
TL;DR: 3-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one (CAS 75746-13-3) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propyl-[1]benzofuro[3,2-d]pyrimidin-4-one
Also Known As: ChemDiv3_012255, 3-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one, 3-propyl-[1]benzofuro[3,2-d]pyrimidin-4-one, F0699-0003, 3-propyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 2.5527 |
| Topological Polar Surface Area | 48.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 739.839 |
Chemical Identifiers
| CAS Number | 75746-13-3 |
|---|---|
| SMILES | CCCN1C=NC2=C(C1=O)OC3=CC=CC=C32 |
Product Overview
3-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one (CAS 75746-13-3), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: 3-propyl-[1]benzofuro[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 3-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one
Property Insights of 3-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one
The XLogP value of 2.5527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one. With a topological polar surface area (TPSA) of 48.03 Ų, 3-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 3 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-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one?
The CAS number of 3-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one is 75746-13-3.
What is the molecular formula of 3-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one?
The molecular formula of 3-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one is C13H12N2O2.
What is the molecular weight of 3-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one?
The molecular weight of 3-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one is 228.09 g/mol.
Where can I buy 3-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one?
You can request a quote for 3-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-propylbenzofuro[3,2-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.