Sydnone, 4-(carboxymethyl)-3-isopropyl-
TL;DR: Sydnone, 4-(carboxymethyl)-3-isopropyl- (CAS 14388-13-7) is a chemical compound with molecular formula C7H10N2O4 and molecular weight 186.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-oxo-3-propan-2-yl-2H-oxadiazol-3-ium-4-yl)acetate
Also Known As: Sydnone, 4-(carboxymethyl)-3-isopropyl-, 4-(Carboxymethyl)-3-isopropylsydnone, 2-(5-oxo-3-propan-2-yl-2H-oxadiazol-3-ium-4-yl)acetate, [5-Oxo-3-(propan-2-yl)-2,5-dihydro-1,2,3-oxadiazol-3-ium-4-yl]acetate, BRN 5408406
| Molecular Formula | C7H10N2O4 |
|---|---|
| Molecular Weight | 186.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.06406 |
| Heavy Atoms | 13 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 14388-13-7 |
|---|---|
| SMILES | CC(C)[N+]1=C(C(=O)ON1)CC(=O)[O-] |
| InChIKey | DZKYVBBRKSWJRL-UHFFFAOYSA-N |
Product Overview
Sydnone, 4-(carboxymethyl)-3-isopropyl- (CAS 14388-13-7), with molecular formula C7H10N2O4 and molecular weight 186.06 g/mol. IUPAC: 2-(5-oxo-3-propan-2-yl-2H-oxadiazol-3-ium-4-yl)acetate.
Chemical Property Profile of Sydnone, 4-(carboxymethyl)-3-isopropyl-
Property Insights of Sydnone, 4-(carboxymethyl)-3-isopropyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sydnone, 4-(carboxymethyl)-3-isopropyl-. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Sydnone, 4-(carboxymethyl)-3-isopropyl-. Following Lipinski's Rule of Five, Sydnone, 4-(carboxymethyl)-3-isopropyl- has 1 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 Sydnone, 4-(carboxymethyl)-3-isopropyl-?
The CAS number of Sydnone, 4-(carboxymethyl)-3-isopropyl- is 14388-13-7.
What is the molecular formula of Sydnone, 4-(carboxymethyl)-3-isopropyl-?
The molecular formula of Sydnone, 4-(carboxymethyl)-3-isopropyl- is C7H10N2O4.
What is the molecular weight of Sydnone, 4-(carboxymethyl)-3-isopropyl-?
The molecular weight of Sydnone, 4-(carboxymethyl)-3-isopropyl- is 186.06 g/mol.
Where can I buy Sydnone, 4-(carboxymethyl)-3-isopropyl-?
You can request a quote for Sydnone, 4-(carboxymethyl)-3-isopropyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sydnone, 4-(carboxymethyl)-3-isopropyl-?
Yes, KEHONG BIO provides custom synthesis services for Sydnone, 4-(carboxymethyl)-3-isopropyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.