RefChem:216961
TL;DR: RefChem:216961 (CAS 54014-38-9) is a chemical compound with molecular formula C14H17N3O6 and molecular weight 323.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl N-methylcarbamate
Also Known As: 1,3,4-Oxadiazole-2-methanol, 5-(3,4,5-trimethoxyphenyl)-, methylcarbamate (ester), 5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazole-2-methanol methylcarbamate (ester), [5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl methylcarbamate, [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl N-methylcarbamate, RefChem:216961
| Molecular Formula | C14H17N3O6 |
|---|---|
| Molecular Weight | 323.11 g/mol |
| LogP | 1.6184 |
| Topological Polar Surface Area | 104.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.11172 |
| Heavy Atoms | 23 |
| Complexity | 659.8973 |
Chemical Identifiers
| CAS Number | 54014-38-9 |
|---|---|
| SMILES | CNC(=O)OCC1=NN=C(O1)C2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
RefChem:216961 (CAS 54014-38-9), with molecular formula C14H17N3O6 and molecular weight 323.11 g/mol. IUPAC: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl N-methylcarbamate.
Chemical Property Profile of RefChem:216961
Property Insights of RefChem:216961
The XLogP value of 1.6184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:216961. The TPSA of 104.94 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:216961. Following Lipinski's Rule of Five, RefChem:216961 has 1 hydrogen bond donor(s) and 8 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 RefChem:216961?
The CAS number of RefChem:216961 is 54014-38-9.
What is the molecular formula of RefChem:216961?
The molecular formula of RefChem:216961 is C14H17N3O6.
What is the molecular weight of RefChem:216961?
The molecular weight of RefChem:216961 is 323.11 g/mol.
Where can I buy RefChem:216961?
You can request a quote for RefChem:216961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:216961?
Yes, KEHONG BIO provides custom synthesis services for RefChem:216961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.