![Methyl 4-[(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate structure](/static/products/2702/2702-44-5.webp)
Methyl 4-[(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate
TL;DR: Methyl 4-[(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate (CAS 2702-44-5) is a chemical compound with molecular formula C19H17NO3 and molecular weight 307.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(5,6-dimethyl-1,3-benzoxazol-2-yl)ethenyl]benzoate
Also Known As: methyl4-[2- vinyl]benzoate, methyl 4-[(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate, methyl 4-[2-(5,6-dimethyl-1,3-benzoxazol-2-yl)ethenyl]benzoate, Benzoic acid, 4-[2-(5,6-dimethyl-2-benzoxazolyl)ethenyl]-, methyl ester
| Molecular Formula | C19H17NO3 |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.12085 |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 2702-44-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)OC(=N2)C=CC3=CC=C(C=C3)C(=O)OC |
| InChIKey | QLAXRNXBCBELEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-[(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate (CAS 2702-44-5), with molecular formula C19H17NO3 and molecular weight 307.12 g/mol. IUPAC: methyl 4-[2-(5,6-dimethyl-1,3-benzoxazol-2-yl)ethenyl]benzoate.
Chemical Property Profile of Methyl 4-[(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate
Property Insights of Methyl 4-[(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate
The XLogP value of 4.7 indicates that Methyl 4-[(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 4-[(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-[(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate has 0 hydrogen bond donor(s) and 4 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 Methyl 4-[(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate?
The CAS number of Methyl 4-[(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate is 2702-44-5.
What is the molecular formula of Methyl 4-[(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate?
The molecular formula of Methyl 4-[(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate is C19H17NO3.
What is the molecular weight of Methyl 4-[(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate?
The molecular weight of Methyl 4-[(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate is 307.12 g/mol.
Where can I buy Methyl 4-[(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate?
You can request a quote for Methyl 4-[(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(5,6-dimethyl-2-benzoxazolyl)vinyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.