ChemDiv3_005212
TL;DR: ChemDiv3_005212 (CAS 523991-53-9) is a chemical compound with molecular formula C19H17N3O5S and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(3-oxo-1H-2-benzofuran-1-yl)amino]benzenesulfonamide
Also Known As: ChemDiv3_005212, IDI1_023122, N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzenesulfonamide, N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(3-oxo-1H-2-benzofuran-1-yl)amino]benzenesulfonamide, 3-[(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)amino]-3-hydroisobenz ofuran-1-one
| Molecular Formula | C19H17N3O5S |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 3.37334 |
| Topological Polar Surface Area | 110.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.0889 |
| Heavy Atoms | 28 |
| Complexity | 1152.5671 |
Chemical Identifiers
| CAS Number | 523991-53-9 |
|---|---|
| SMILES | CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)O3 |
Product Overview
ChemDiv3_005212 (CAS 523991-53-9), with molecular formula C19H17N3O5S and molecular weight 399.09 g/mol. IUPAC: N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(3-oxo-1H-2-benzofuran-1-yl)amino]benzenesulfonamide.
Chemical Property Profile of ChemDiv3_005212
Property Insights of ChemDiv3_005212
The XLogP value of 3.37334 indicates that ChemDiv3_005212 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005212. Following Lipinski's Rule of Five, ChemDiv3_005212 has 2 hydrogen bond donor(s) and 7 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 ChemDiv3_005212?
The CAS number of ChemDiv3_005212 is 523991-53-9.
What is the molecular formula of ChemDiv3_005212?
The molecular formula of ChemDiv3_005212 is C19H17N3O5S.
What is the molecular weight of ChemDiv3_005212?
The molecular weight of ChemDiv3_005212 is 399.09 g/mol.
Where can I buy ChemDiv3_005212?
You can request a quote for ChemDiv3_005212 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005212?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005212 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.