1,3,4-Oxadiazole-2-methanol, 5-(4-methoxyphenyl)-, methylcarbamate (ester)
TL;DR: 1,3,4-Oxadiazole-2-methanol, 5-(4-methoxyphenyl)-, methylcarbamate (ester) (CAS 54014-36-7) is a chemical compound with molecular formula C12H13N3O4 and molecular weight 263.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl N-methylcarbamate
Also Known As: 1,3,4-Oxadiazole-2-methanol, 5-(4-methoxyphenyl)-, methylcarbamate (ester), 5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-methanol methylcarbamate (ester), [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl N-methylcarbamate, [5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl methylcarbamate, RefChem:216984
| Molecular Formula | C12H13N3O4 |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | 1.6012 |
| Topological Polar Surface Area | 86.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.0906 |
| Heavy Atoms | 19 |
| Complexity | 550.35706 |
Chemical Identifiers
| CAS Number | 54014-36-7 |
|---|---|
| SMILES | CNC(=O)OCC1=NN=C(O1)C2=CC=C(C=C2)OC |
Product Overview
1,3,4-Oxadiazole-2-methanol, 5-(4-methoxyphenyl)-, methylcarbamate (ester) (CAS 54014-36-7), with molecular formula C12H13N3O4 and molecular weight 263.09 g/mol. IUPAC: [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl N-methylcarbamate.
Chemical Property Profile of 1,3,4-Oxadiazole-2-methanol, 5-(4-methoxyphenyl)-, methylcarbamate (ester)
Property Insights of 1,3,4-Oxadiazole-2-methanol, 5-(4-methoxyphenyl)-, methylcarbamate (ester)
The XLogP value of 1.6012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Oxadiazole-2-methanol, 5-(4-methoxyphenyl)-, methylcarbamate (ester). The TPSA of 86.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Oxadiazole-2-methanol, 5-(4-methoxyphenyl)-, methylcarbamate (ester). Following Lipinski's Rule of Five, 1,3,4-Oxadiazole-2-methanol, 5-(4-methoxyphenyl)-, methylcarbamate (ester) has 1 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 1,3,4-Oxadiazole-2-methanol, 5-(4-methoxyphenyl)-, methylcarbamate (ester)?
The CAS number of 1,3,4-Oxadiazole-2-methanol, 5-(4-methoxyphenyl)-, methylcarbamate (ester) is 54014-36-7.
What is the molecular formula of 1,3,4-Oxadiazole-2-methanol, 5-(4-methoxyphenyl)-, methylcarbamate (ester)?
The molecular formula of 1,3,4-Oxadiazole-2-methanol, 5-(4-methoxyphenyl)-, methylcarbamate (ester) is C12H13N3O4.
What is the molecular weight of 1,3,4-Oxadiazole-2-methanol, 5-(4-methoxyphenyl)-, methylcarbamate (ester)?
The molecular weight of 1,3,4-Oxadiazole-2-methanol, 5-(4-methoxyphenyl)-, methylcarbamate (ester) is 263.09 g/mol.
Where can I buy 1,3,4-Oxadiazole-2-methanol, 5-(4-methoxyphenyl)-, methylcarbamate (ester)?
You can request a quote for 1,3,4-Oxadiazole-2-methanol, 5-(4-methoxyphenyl)-, methylcarbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Oxadiazole-2-methanol, 5-(4-methoxyphenyl)-, methylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxadiazole-2-methanol, 5-(4-methoxyphenyl)-, methylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.