EINECS 279-428-7
TL;DR: EINECS 279-428-7 (CAS 80228-91-7) is a chemical compound with molecular formula C14H16ClN3O5S and molecular weight 373.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-carbamoylsulfonylphenyl)ethyl-(5-methyl-1,2-oxazole-3-carbonyl)azanium chloride
Also Known As: EINECS 279-428-7, (4-(Carbamoylsulphonyl)phenethyl)((5-methylisoxazol-3-yl)carbonyl)ammonium chloride, [4-(Carbamoylsulfonyl)phenethyl][(5-methylisoxazol-3-yl)carbonyl]ammonium chloride, [4-(carbamoylsulphonyl)phenethyl][(5-methylisoxazol-3-yl)carbonyl]ammonium chloride, 2-(4-carbamoylsulfonylphenyl)ethyl-(5-methyl-1,2-oxazole-3-carbonyl)azanium chloride
| Molecular Formula | C14H16ClN3O5S |
|---|---|
| Molecular Weight | 373.05 g/mol |
| LogP | -3.21428 |
| Topological Polar Surface Area | 136.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.04993 |
| Heavy Atoms | 24 |
| Complexity | 830.34973 |
Chemical Identifiers
| CAS Number | 80228-91-7 |
|---|---|
| SMILES | CC1=CC(=NO1)C(=O)[NH2+]CCC2=CC=C(C=C2)S(=O)(=O)C(=O)N.[Cl-] |
Product Overview
EINECS 279-428-7 (CAS 80228-91-7), with molecular formula C14H16ClN3O5S and molecular weight 373.05 g/mol. IUPAC: 2-(4-carbamoylsulfonylphenyl)ethyl-(5-methyl-1,2-oxazole-3-carbonyl)azanium chloride.
Chemical Property Profile of EINECS 279-428-7
Property Insights of EINECS 279-428-7
The XLogP value of -3.21428 indicates that EINECS 279-428-7 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 136.94 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 279-428-7. Following Lipinski's Rule of Five, EINECS 279-428-7 has 2 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 EINECS 279-428-7?
The CAS number of EINECS 279-428-7 is 80228-91-7.
What is the molecular formula of EINECS 279-428-7?
The molecular formula of EINECS 279-428-7 is C14H16ClN3O5S.
What is the molecular weight of EINECS 279-428-7?
The molecular weight of EINECS 279-428-7 is 373.05 g/mol.
Where can I buy EINECS 279-428-7?
You can request a quote for EINECS 279-428-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 279-428-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 279-428-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.