5-Bromo-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate
TL;DR: 5-Bromo-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate (CAS 77408-69-6) is a chemical compound with molecular formula C15H11BrN2O5S and molecular weight 409.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromo-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate
Also Known As: (5-bromo-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate, 5-Bromo-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate
| Molecular Formula | C15H11BrN2O5S |
|---|---|
| Molecular Weight | 409.96 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.9572 |
| Heavy Atoms | 24 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 77408-69-6 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=NOC3=C2C=C(C=C3)Br |
| InChIKey | SHVTUHIKGCSYSI-UHFFFAOYSA-N |
Product Overview
5-Bromo-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate (CAS 77408-69-6), with molecular formula C15H11BrN2O5S and molecular weight 409.96 g/mol. IUPAC: (5-bromo-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate.
Chemical Property Profile of 5-Bromo-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate
Property Insights of 5-Bromo-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate
The XLogP value of 3.0 indicates that 5-Bromo-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate. Following Lipinski's Rule of Five, 5-Bromo-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate has 1 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 5-Bromo-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate?
The CAS number of 5-Bromo-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate is 77408-69-6.
What is the molecular formula of 5-Bromo-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate?
The molecular formula of 5-Bromo-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate is C15H11BrN2O5S.
What is the molecular weight of 5-Bromo-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate?
The molecular weight of 5-Bromo-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate is 409.96 g/mol.
Where can I buy 5-Bromo-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate?
You can request a quote for 5-Bromo-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.