1,3,4-Oxadiazole-2-methanol, 5-(3,4-dimethoxyphenyl)-, carbamate (ester)
TL;DR: 1,3,4-Oxadiazole-2-methanol, 5-(3,4-dimethoxyphenyl)-, carbamate (ester) (CAS 54014-27-6) is a chemical compound with molecular formula C12H13N3O5 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl carbamate
Also Known As: 1,3,4-Oxadiazole-2-methanol, 5-(3,4-dimethoxyphenyl)-, carbamate (ester), 5-(3,4-Dimethoxyphenyl)-1,3,4-oxadiazole-2-methanol carbamate (ester), [5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl carbamate, RefChem:216966
| Molecular Formula | C12H13N3O5 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 1.3491 |
| Topological Polar Surface Area | 109.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.0855 |
| Heavy Atoms | 20 |
| Complexity | 610.8903 |
Chemical Identifiers
| CAS Number | 54014-27-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(O2)COC(=O)N)OC |
Product Overview
1,3,4-Oxadiazole-2-methanol, 5-(3,4-dimethoxyphenyl)-, carbamate (ester) (CAS 54014-27-6), with molecular formula C12H13N3O5 and molecular weight 279.09 g/mol. IUPAC: [5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl carbamate.
Chemical Property Profile of 1,3,4-Oxadiazole-2-methanol, 5-(3,4-dimethoxyphenyl)-, carbamate (ester)
Property Insights of 1,3,4-Oxadiazole-2-methanol, 5-(3,4-dimethoxyphenyl)-, carbamate (ester)
The XLogP value of 1.3491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Oxadiazole-2-methanol, 5-(3,4-dimethoxyphenyl)-, carbamate (ester). The TPSA of 109.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Oxadiazole-2-methanol, 5-(3,4-dimethoxyphenyl)-, carbamate (ester). Following Lipinski's Rule of Five, 1,3,4-Oxadiazole-2-methanol, 5-(3,4-dimethoxyphenyl)-, carbamate (ester) has 1 hydrogen bond donor(s) and 7 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-(3,4-dimethoxyphenyl)-, carbamate (ester)?
The CAS number of 1,3,4-Oxadiazole-2-methanol, 5-(3,4-dimethoxyphenyl)-, carbamate (ester) is 54014-27-6.
What is the molecular formula of 1,3,4-Oxadiazole-2-methanol, 5-(3,4-dimethoxyphenyl)-, carbamate (ester)?
The molecular formula of 1,3,4-Oxadiazole-2-methanol, 5-(3,4-dimethoxyphenyl)-, carbamate (ester) is C12H13N3O5.
What is the molecular weight of 1,3,4-Oxadiazole-2-methanol, 5-(3,4-dimethoxyphenyl)-, carbamate (ester)?
The molecular weight of 1,3,4-Oxadiazole-2-methanol, 5-(3,4-dimethoxyphenyl)-, carbamate (ester) is 279.09 g/mol.
Where can I buy 1,3,4-Oxadiazole-2-methanol, 5-(3,4-dimethoxyphenyl)-, carbamate (ester)?
You can request a quote for 1,3,4-Oxadiazole-2-methanol, 5-(3,4-dimethoxyphenyl)-, carbamate (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-(3,4-dimethoxyphenyl)-, carbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxadiazole-2-methanol, 5-(3,4-dimethoxyphenyl)-, carbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.