Carbamic acid, (3-(p-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester
TL;DR: Carbamic acid, (3-(p-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester (CAS 91587-75-6) is a chemical compound with molecular formula C10H8ClN3O3 and molecular weight 253.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl carbamate
Also Known As: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl carbamate|CARBAMIC ACID, (3-(p-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL)METHYL ESTER|(3-(p-Chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester of carbamic acid|1,2,4-Oxadiazole-5-methanol, 3-(p-chlorophenyl)-, carbamate (ester)|[3-(p-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl=carbamate|BRN 0540478|RefChem:332021|DTXCID40161129
| Molecular Formula | C10H8ClN3O3 |
|---|---|
| Molecular Weight | 253.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.02542 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 91587-75-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NOC(=N2)COC(=O)N)Cl |
| InChIKey | ZMJOIEJJOQLCNY-UHFFFAOYSA-N |
Product Overview
Carbamic acid, (3-(p-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester (CAS 91587-75-6), with molecular formula C10H8ClN3O3 and molecular weight 253.03 g/mol. IUPAC: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl carbamate.
Chemical Property Profile of Carbamic acid, (3-(p-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester
Property Insights of Carbamic acid, (3-(p-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (3-(p-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (3-(p-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester. Following Lipinski's Rule of Five, Carbamic acid, (3-(p-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester 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 Carbamic acid, (3-(p-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester?
The CAS number of Carbamic acid, (3-(p-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester is 91587-75-6.
What is the molecular formula of Carbamic acid, (3-(p-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester?
The molecular formula of Carbamic acid, (3-(p-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester is C10H8ClN3O3.
What is the molecular weight of Carbamic acid, (3-(p-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester?
The molecular weight of Carbamic acid, (3-(p-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester is 253.03 g/mol.
Where can I buy Carbamic acid, (3-(p-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester?
You can request a quote for Carbamic acid, (3-(p-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (3-(p-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (3-(p-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.