![3-{2-[2-Ethoxy-1-propen-1-yl]-1,3-benzoxazol-3-ium-3-yl}-1-propanesulfonate structure](/static/products/8670/86701-22-6.webp)
3-{2-[2-Ethoxy-1-propen-1-yl]-1,3-benzoxazol-3-ium-3-yl}-1-propanesulfonate
TL;DR: 3-{2-[2-Ethoxy-1-propen-1-yl]-1,3-benzoxazol-3-ium-3-yl}-1-propanesulfonate (CAS 86701-22-6) is a chemical compound with molecular formula C15H19NO5S and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2-ethoxyprop-1-enyl)-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate
Also Known As: 3-{2-[2-Ethoxy-1-propen-1-yl]-1,3-benzoxazol-3-ium-3-yl}-1-propanesulfonate, 3-[2-[(Z)-2-ethoxyprop-1-enyl]benzooxazol-3-yl]propane-1-sulfonate, Benzoxazolium, 2-(2-ethoxy-1-propenyl)-3-(3-sulfopropyl)-, inner salt
| Molecular Formula | C15H19NO5S |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.0984 |
| Heavy Atoms | 22 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 86701-22-6 |
|---|---|
| SMILES | CCOC(=CC1=[N+](C2=CC=CC=C2O1)CCCS(=O)(=O)[O-])C |
| InChIKey | DNWHYZPFPAVOQC-UHFFFAOYSA-N |
Product Overview
3-{2-[2-Ethoxy-1-propen-1-yl]-1,3-benzoxazol-3-ium-3-yl}-1-propanesulfonate (CAS 86701-22-6), with molecular formula C15H19NO5S and molecular weight 325.10 g/mol. IUPAC: 3-[2-(2-ethoxyprop-1-enyl)-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate.
Chemical Property Profile of 3-{2-[2-Ethoxy-1-propen-1-yl]-1,3-benzoxazol-3-ium-3-yl}-1-propanesulfonate
Property Insights of 3-{2-[2-Ethoxy-1-propen-1-yl]-1,3-benzoxazol-3-ium-3-yl}-1-propanesulfonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{2-[2-Ethoxy-1-propen-1-yl]-1,3-benzoxazol-3-ium-3-yl}-1-propanesulfonate. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{2-[2-Ethoxy-1-propen-1-yl]-1,3-benzoxazol-3-ium-3-yl}-1-propanesulfonate. Following Lipinski's Rule of Five, 3-{2-[2-Ethoxy-1-propen-1-yl]-1,3-benzoxazol-3-ium-3-yl}-1-propanesulfonate has 0 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 3-{2-[2-Ethoxy-1-propen-1-yl]-1,3-benzoxazol-3-ium-3-yl}-1-propanesulfonate?
The CAS number of 3-{2-[2-Ethoxy-1-propen-1-yl]-1,3-benzoxazol-3-ium-3-yl}-1-propanesulfonate is 86701-22-6.
What is the molecular formula of 3-{2-[2-Ethoxy-1-propen-1-yl]-1,3-benzoxazol-3-ium-3-yl}-1-propanesulfonate?
The molecular formula of 3-{2-[2-Ethoxy-1-propen-1-yl]-1,3-benzoxazol-3-ium-3-yl}-1-propanesulfonate is C15H19NO5S.
What is the molecular weight of 3-{2-[2-Ethoxy-1-propen-1-yl]-1,3-benzoxazol-3-ium-3-yl}-1-propanesulfonate?
The molecular weight of 3-{2-[2-Ethoxy-1-propen-1-yl]-1,3-benzoxazol-3-ium-3-yl}-1-propanesulfonate is 325.10 g/mol.
Where can I buy 3-{2-[2-Ethoxy-1-propen-1-yl]-1,3-benzoxazol-3-ium-3-yl}-1-propanesulfonate?
You can request a quote for 3-{2-[2-Ethoxy-1-propen-1-yl]-1,3-benzoxazol-3-ium-3-yl}-1-propanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{2-[2-Ethoxy-1-propen-1-yl]-1,3-benzoxazol-3-ium-3-yl}-1-propanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-{2-[2-Ethoxy-1-propen-1-yl]-1,3-benzoxazol-3-ium-3-yl}-1-propanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.