![4-(Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride structure](/static/products/105/1052516-44-5.webp)
4-(Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride
TL;DR: 4-(Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride (CAS 1052516-44-5) is a chemical compound with molecular formula C17H12ClN3O3 and molecular weight 341.05673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid;hydrochloride
Also Known As: VU0608495-1, F3277-0629, 4-(benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride, 4-({8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-6-yl}amino)benzoic acid hydrochloride, 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride
Technical Specifications
| Molecular Formula | C17H12ClN3O3 |
| Molecular Weight | 341.05673 g/mol |
| XLogP | 4.2396 |
| Topological Polar Surface Area (TPSA) | 88.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.05673 Da |
| Heavy Atoms | 24 |
| Complexity | 439.0 |
| SMILES | C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)NC4=CC=C(C=C4)C(=O)O.Cl |
| InChIKey | UTZGTEYHBFLOJH-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride
Property Insights of 4-(Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride
The XLogP value of 4.2396 indicates that 4-(Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride. Following Lipinski's Rule of Five, 4-(Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride?
The CAS number of 4-(Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride is 1052516-44-5.
What is the molecular formula of 4-(Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride?
The molecular formula of 4-(Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride is C17H12ClN3O3.
What is the molecular weight of 4-(Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride?
The molecular weight of 4-(Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride is 341.05673 g/mol.
Where can I buy 4-(Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride?
You can request a quote for 4-(Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride?
Yes, CoreyChem provides custom synthesis services for 4-(Benzofuro[3,2-d]pyrimidin-4-ylamino)benzoic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.