Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1)
TL;DR: Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1) (CAS 54785-33-0) is a chemical compound with molecular formula C20H22N2O5 and molecular weight 370.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-4-oxobutanoate;2-(2-phenyl-1,3-benzoxazol-5-yl)propylazanium
Also Known As: 2-Phenyl-beta-methyl-5-benzoxazoleethylamine hydrogen succinate, Propylamine, 2-(2-phenylbenzoxazol-5-yl)-, hydrogen succinate, 5-BENZOXAZOLEETHYLAMINE, beta-METHYL-2-PHENYL-, HYDROGEN SUCCINATE, 4-hydroxy-4-oxobutanoate; 2-(2-phenyl-1,3-benzoxazol-5-yl)propylazanium, Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1)
| Molecular Formula | C20H22N2O5 |
|---|---|
| Molecular Weight | 370.15 g/mol |
| LogP | 1.44 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.15286 |
| Heavy Atoms | 27 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 54785-33-0 |
|---|---|
| SMILES | CC(C[NH3+])C1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3.C(CC(=O)[O-])C(=O)O |
| InChIKey | HEOJWSWARCJDBI-UHFFFAOYSA-N |
Product Overview
Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1) (CAS 54785-33-0), with molecular formula C20H22N2O5 and molecular weight 370.15 g/mol. IUPAC: 4-hydroxy-4-oxobutanoate;2-(2-phenyl-1,3-benzoxazol-5-yl)propylazanium.
Chemical Property Profile of Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1)
Property Insights of Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1)
The XLogP value of 1.44 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1). The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1). Following Lipinski's Rule of Five, Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1) has 2 hydrogen bond donor(s) and 6 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 Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1)?
The CAS number of Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1) is 54785-33-0.
What is the molecular formula of Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1)?
The molecular formula of Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1) is C20H22N2O5.
What is the molecular weight of Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1)?
The molecular weight of Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1) is 370.15 g/mol.
Where can I buy Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1)?
You can request a quote for Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.