(2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid
TL;DR: (2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid (CAS 31527-73-8) is a chemical compound with molecular formula C10H7NO3 and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid
Also Known As: (2E)-3-(1,3-benzoxazol-2-yl)acrylic acid, (2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid, 3-benzooxazol-2-yl-acrylic acid, 3-(1,3-benzoxazol-2-yl)prop-2-enoic acid, 3-benzooxazol-2-ylprop-2-enoic Acid
| Molecular Formula | C10H7NO3 |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 1.9256 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.04259 |
| Heavy Atoms | 14 |
| Complexity | 465.79135 |
Chemical Identifiers
| CAS Number | 31527-73-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)/C=C/C(=O)O |
Product Overview
(2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid (CAS 31527-73-8), with molecular formula C10H7NO3 and molecular weight 189.04 g/mol. IUPAC: (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid
Property Insights of (2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid
The XLogP value of 1.9256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid has 1 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 (2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid?
The CAS number of (2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid is 31527-73-8.
What is the molecular formula of (2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid?
The molecular formula of (2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid is C10H7NO3.
What is the molecular weight of (2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid?
The molecular weight of (2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid is 189.04 g/mol.
Where can I buy (2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid?
You can request a quote for (2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.