(E)-2-benzooxazol-2-ylsulfanyl-3-(4-bromo-5-dimethylamino-2-furyl)prop-2-enoic Acid
TL;DR: (E)-2-benzooxazol-2-ylsulfanyl-3-(4-bromo-5-dimethylamino-2-furyl)prop-2-enoic Acid (CAS 1002508-93-1) is a chemical compound with molecular formula C16H13BrN2O4S and molecular weight 407.97794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-bromo-5-(dimethylamino)furan-2-yl]prop-2-enoic acid
Also Known As: (E)-2-benzooxazol-2-ylsulfanyl-3-(4-bromo-5-dimethylamino-2-furyl)prop-2-enoic Acid, 2-Propenoic acid, 2-(2-benzoxazolylthio)-3-[4-bromo-5-(dimethylamino)-2-furanyl]-, (2E)-, (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-bromo-5-(dimethylamino)furan-2-yl]prop-2-enoic acid
Technical Specifications
| Molecular Formula | C16H13BrN2O4S |
| Molecular Weight | 407.97794 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.97794 Da |
| Heavy Atoms | 24 |
| Complexity | 504.0 |
| SMILES | CN(C)C1=C(C=C(O1)/C=C(\C(=O)O)/SC2=NC3=CC=CC=C3O2)Br |
| InChIKey | MDZPNPVKLNHPME-MDWZMJQESA-N |
Chemical Property Profile of (E)-2-benzooxazol-2-ylsulfanyl-3-(4-bromo-5-dimethylamino-2-furyl)prop-2-enoic Acid
Property Insights of (E)-2-benzooxazol-2-ylsulfanyl-3-(4-bromo-5-dimethylamino-2-furyl)prop-2-enoic Acid
The XLogP value of 4.6 indicates that (E)-2-benzooxazol-2-ylsulfanyl-3-(4-bromo-5-dimethylamino-2-furyl)prop-2-enoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-benzooxazol-2-ylsulfanyl-3-(4-bromo-5-dimethylamino-2-furyl)prop-2-enoic Acid. Following Lipinski's Rule of Five, (E)-2-benzooxazol-2-ylsulfanyl-3-(4-bromo-5-dimethylamino-2-furyl)prop-2-enoic Acid has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-2-benzooxazol-2-ylsulfanyl-3-(4-bromo-5-dimethylamino-2-furyl)prop-2-enoic Acid?
The CAS number of (E)-2-benzooxazol-2-ylsulfanyl-3-(4-bromo-5-dimethylamino-2-furyl)prop-2-enoic Acid is 1002508-93-1.
What is the molecular formula of (E)-2-benzooxazol-2-ylsulfanyl-3-(4-bromo-5-dimethylamino-2-furyl)prop-2-enoic Acid?
The molecular formula of (E)-2-benzooxazol-2-ylsulfanyl-3-(4-bromo-5-dimethylamino-2-furyl)prop-2-enoic Acid is C16H13BrN2O4S.
What is the molecular weight of (E)-2-benzooxazol-2-ylsulfanyl-3-(4-bromo-5-dimethylamino-2-furyl)prop-2-enoic Acid?
The molecular weight of (E)-2-benzooxazol-2-ylsulfanyl-3-(4-bromo-5-dimethylamino-2-furyl)prop-2-enoic Acid is 407.97794 g/mol.
Where can I buy (E)-2-benzooxazol-2-ylsulfanyl-3-(4-bromo-5-dimethylamino-2-furyl)prop-2-enoic Acid?
You can request a quote for (E)-2-benzooxazol-2-ylsulfanyl-3-(4-bromo-5-dimethylamino-2-furyl)prop-2-enoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-2-benzooxazol-2-ylsulfanyl-3-(4-bromo-5-dimethylamino-2-furyl)prop-2-enoic Acid?
Yes, CoreyChem provides custom synthesis services for (E)-2-benzooxazol-2-ylsulfanyl-3-(4-bromo-5-dimethylamino-2-furyl)prop-2-enoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.