Benzyl 2-hydroxy-3-methyl-1,2lambda(5),5-oxadiazol-4-ylcarbamate
TL;DR: Benzyl 2-hydroxy-3-methyl-1,2lambda(5),5-oxadiazol-4-ylcarbamate (CAS 37132-27-7) is a chemical compound with molecular formula C11H11N3O4 and molecular weight 249.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)carbamate
Also Known As: Benzyl 2-hydroxy-3-methyl-1,2lambda(5),5-oxadiazol-4-ylcarbamate, benzyl N-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)carbamate, Benzyl (3-methyl-2-oxo-1,2lambda~5~,5-oxadiazol-4-yl)carbamate, Benzyl 2-hydroxy-3-methyl-1,2.lambda.~5~,5-oxadiazol-4-ylcarbamate, Carbamic acid, (4-methyl-5-oxido-1,2,5-oxadiazol-3-yl)-, phenylmethyl ester
| Molecular Formula | C11H11N3O4 |
|---|---|
| Molecular Weight | 249.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.07495 |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 37132-27-7 |
|---|---|
| SMILES | CC1=[N+](ON=C1NC(=O)OCC2=CC=CC=C2)[O-] |
| InChIKey | XOLKTOVNMYHMDP-UHFFFAOYSA-N |
Product Overview
Benzyl 2-hydroxy-3-methyl-1,2lambda(5),5-oxadiazol-4-ylcarbamate (CAS 37132-27-7), with molecular formula C11H11N3O4 and molecular weight 249.07 g/mol. IUPAC: benzyl N-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)carbamate.
Chemical Property Profile of Benzyl 2-hydroxy-3-methyl-1,2lambda(5),5-oxadiazol-4-ylcarbamate
Property Insights of Benzyl 2-hydroxy-3-methyl-1,2lambda(5),5-oxadiazol-4-ylcarbamate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-hydroxy-3-methyl-1,2lambda(5),5-oxadiazol-4-ylcarbamate. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-hydroxy-3-methyl-1,2lambda(5),5-oxadiazol-4-ylcarbamate. Following Lipinski's Rule of Five, Benzyl 2-hydroxy-3-methyl-1,2lambda(5),5-oxadiazol-4-ylcarbamate 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 Benzyl 2-hydroxy-3-methyl-1,2lambda(5),5-oxadiazol-4-ylcarbamate?
The CAS number of Benzyl 2-hydroxy-3-methyl-1,2lambda(5),5-oxadiazol-4-ylcarbamate is 37132-27-7.
What is the molecular formula of Benzyl 2-hydroxy-3-methyl-1,2lambda(5),5-oxadiazol-4-ylcarbamate?
The molecular formula of Benzyl 2-hydroxy-3-methyl-1,2lambda(5),5-oxadiazol-4-ylcarbamate is C11H11N3O4.
What is the molecular weight of Benzyl 2-hydroxy-3-methyl-1,2lambda(5),5-oxadiazol-4-ylcarbamate?
The molecular weight of Benzyl 2-hydroxy-3-methyl-1,2lambda(5),5-oxadiazol-4-ylcarbamate is 249.07 g/mol.
Where can I buy Benzyl 2-hydroxy-3-methyl-1,2lambda(5),5-oxadiazol-4-ylcarbamate?
You can request a quote for Benzyl 2-hydroxy-3-methyl-1,2lambda(5),5-oxadiazol-4-ylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-hydroxy-3-methyl-1,2lambda(5),5-oxadiazol-4-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-hydroxy-3-methyl-1,2lambda(5),5-oxadiazol-4-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.