1-Hydroxyvaldecoxib
TL;DR: 1-Hydroxyvaldecoxib (CAS 181695-83-0) is a chemical compound with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
Also Known As: 1-Hydroxy Valdecoxib, 1-Hydroxyvaldecoxib, Valdecoxib metabolite M1, Parecoxib Impurity 96, 1-HydroxyValdecoxib-13C2,15N
| Molecular Formula | C16H14N2O4S |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 2.1483 |
| Topological Polar Surface Area | 106.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.0674 |
| Heavy Atoms | 23 |
| Complexity | 916.4739 |
Chemical Identifiers
| CAS Number | 181695-83-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NOC(=C2C3=CC=C(C=C3)S(=O)(=O)N)CO |
Product Overview
1-Hydroxyvaldecoxib (CAS 181695-83-0), with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol. IUPAC: 4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide.
Chemical Property Profile of 1-Hydroxyvaldecoxib
Property Insights of 1-Hydroxyvaldecoxib
The XLogP value of 2.1483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxyvaldecoxib. The TPSA of 106.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hydroxyvaldecoxib. Following Lipinski's Rule of Five, 1-Hydroxyvaldecoxib has 2 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 1-Hydroxyvaldecoxib?
The CAS number of 1-Hydroxyvaldecoxib is 181695-83-0.
What is the molecular formula of 1-Hydroxyvaldecoxib?
The molecular formula of 1-Hydroxyvaldecoxib is C16H14N2O4S.
What is the molecular weight of 1-Hydroxyvaldecoxib?
The molecular weight of 1-Hydroxyvaldecoxib is 330.07 g/mol.
Where can I buy 1-Hydroxyvaldecoxib?
You can request a quote for 1-Hydroxyvaldecoxib directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxyvaldecoxib?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxyvaldecoxib and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.