N-Carboxymethylsydnone benzhydryl ester
TL;DR: N-Carboxymethylsydnone benzhydryl ester (CAS 59336-89-9) is a chemical compound with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-benzhydryloxy-2-oxoethyl)oxadiazol-3-ium-5-olate
Also Known As: N-Carboxymethylsydnone benzhydryl ester, Sydnone, N-(carboxymethyl)-, benzhydryl ester, 1,2,3-Oxadiazolinium, 3-(2-(diphenylmethoxy)-2-oxoethyl)-5-hydroxy-, hydroxide, inner salt, 3-(2-(Diphenylmethoxy)-2-oxoethyl)-5-hydroxy-1,2,3-oxadiazolinium hydroxide, inner salt, 3-(2-benzhydryloxy-2-oxoethyl)oxadiazol-3-ium-5-olate
| Molecular Formula | C17H14N2O4 |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 1.3685 |
| Topological Polar Surface Area | 79.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.09537 |
| Heavy Atoms | 23 |
| Complexity | 732.05707 |
Chemical Identifiers
| CAS Number | 59336-89-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C[N+]3=NOC(=C3)[O-] |
Product Overview
N-Carboxymethylsydnone benzhydryl ester (CAS 59336-89-9), with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol. IUPAC: 3-(2-benzhydryloxy-2-oxoethyl)oxadiazol-3-ium-5-olate.
Chemical Property Profile of N-Carboxymethylsydnone benzhydryl ester
Property Insights of N-Carboxymethylsydnone benzhydryl ester
The XLogP value of 1.3685 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Carboxymethylsydnone benzhydryl ester. The TPSA of 79.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Carboxymethylsydnone benzhydryl ester. Following Lipinski's Rule of Five, N-Carboxymethylsydnone benzhydryl ester has 0 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 N-Carboxymethylsydnone benzhydryl ester?
The CAS number of N-Carboxymethylsydnone benzhydryl ester is 59336-89-9.
What is the molecular formula of N-Carboxymethylsydnone benzhydryl ester?
The molecular formula of N-Carboxymethylsydnone benzhydryl ester is C17H14N2O4.
What is the molecular weight of N-Carboxymethylsydnone benzhydryl ester?
The molecular weight of N-Carboxymethylsydnone benzhydryl ester is 310.10 g/mol.
Where can I buy N-Carboxymethylsydnone benzhydryl ester?
You can request a quote for N-Carboxymethylsydnone benzhydryl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Carboxymethylsydnone benzhydryl ester?
Yes, KEHONG BIO provides custom synthesis services for N-Carboxymethylsydnone benzhydryl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.