![4-([1]Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid structure](/static/products/845/845652-93-9.png)
4-([1]Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid
TL;DR: 4-([1]Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid (CAS 845652-93-9) is a chemical compound with molecular formula C17H11N3O3 and molecular weight 305.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid
Also Known As: BAS 12344660, 4-(benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid, 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid, 4-(Benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-benzoic acid
| Molecular Formula | C17H11N3O3 |
|---|---|
| Molecular Weight | 305.08 g/mol |
| LogP | 3.8178 |
| Topological Polar Surface Area | 88.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.08005 |
| Heavy Atoms | 23 |
| Complexity | 1022.31085 |
Chemical Identifiers
| CAS Number | 845652-93-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)NC4=CC=C(C=C4)C(=O)O |
Product Overview
4-([1]Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid (CAS 845652-93-9), with molecular formula C17H11N3O3 and molecular weight 305.08 g/mol. IUPAC: 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid.
Chemical Property Profile of 4-([1]Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid
Property Insights of 4-([1]Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid
The XLogP value of 3.8178 indicates that 4-([1]Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-([1]Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid. Following Lipinski's Rule of Five, 4-([1]Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid has 2 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 4-([1]Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid?
The CAS number of 4-([1]Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid is 845652-93-9.
What is the molecular formula of 4-([1]Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid?
The molecular formula of 4-([1]Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid is C17H11N3O3.
What is the molecular weight of 4-([1]Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid?
The molecular weight of 4-([1]Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid is 305.08 g/mol.
Where can I buy 4-([1]Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid?
You can request a quote for 4-([1]Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-([1]Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-([1]Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.