(5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate
TL;DR: (5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate (CAS 77408-68-5) is a chemical compound with molecular formula C15H11ClN2O5S and molecular weight 366.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate
Also Known As: (5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate, 5-Chloro-1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate, N-[4-(5-CHLOROBENZO[D]ISOXAZOL-3-YL)OXYSULFONYLPHENYL]ACETAMIDE, RefChem:317467
| Molecular Formula | C15H11ClN2O5S |
|---|---|
| Molecular Weight | 366.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.00772 |
| Heavy Atoms | 24 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 77408-68-5 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=NOC3=C2C=C(C=C3)Cl |
| InChIKey | RNBIGNYFCNCQBF-UHFFFAOYSA-N |
Product Overview
(5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate (CAS 77408-68-5), with molecular formula C15H11ClN2O5S and molecular weight 366.01 g/mol. IUPAC: (5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate.
Chemical Property Profile of (5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate
Property Insights of (5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate. Following Lipinski's Rule of Five, (5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate 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-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate?
The CAS number of (5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate is 77408-68-5.
What is the molecular formula of (5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate?
The molecular formula of (5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate is C15H11ClN2O5S.
What is the molecular weight of (5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate?
The molecular weight of (5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate is 366.01 g/mol.
Where can I buy (5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate?
You can request a quote for (5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (5-chloro-1,2-benzoxazol-3-yl) 4-acetamidobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.