O-benzyl S-(5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl) carbonothioate
TL;DR: O-benzyl S-(5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl) carbonothioate (CAS 336181-30-7) is a chemical compound with molecular formula C19H18N2O6S and molecular weight 402.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylformate
Also Known As: ChemDiv2_004044, IDI1_002759, BAS 01108593, O-benzyl S-(5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl) carbonothioate, benzyl [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylformate
| Molecular Formula | C19H18N2O6S |
|---|---|
| Molecular Weight | 402.09 g/mol |
| LogP | 4.1913 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.08856 |
| Heavy Atoms | 28 |
| Complexity | 919.60187 |
Chemical Identifiers
| CAS Number | 336181-30-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SC(=O)OCC3=CC=CC=C3 |
Product Overview
O-benzyl S-(5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl) carbonothioate (CAS 336181-30-7), with molecular formula C19H18N2O6S and molecular weight 402.09 g/mol. IUPAC: benzyl [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylformate.
Chemical Property Profile of O-benzyl S-(5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl) carbonothioate
Property Insights of O-benzyl S-(5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl) carbonothioate
The XLogP value of 4.1913 indicates that O-benzyl S-(5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl) carbonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for O-benzyl S-(5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl) carbonothioate. Following Lipinski's Rule of Five, O-benzyl S-(5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl) carbonothioate has 0 hydrogen bond donor(s) and 9 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 O-benzyl S-(5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl) carbonothioate?
The CAS number of O-benzyl S-(5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl) carbonothioate is 336181-30-7.
What is the molecular formula of O-benzyl S-(5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl) carbonothioate?
The molecular formula of O-benzyl S-(5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl) carbonothioate is C19H18N2O6S.
What is the molecular weight of O-benzyl S-(5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl) carbonothioate?
The molecular weight of O-benzyl S-(5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl) carbonothioate is 402.09 g/mol.
Where can I buy O-benzyl S-(5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl) carbonothioate?
You can request a quote for O-benzyl S-(5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl) carbonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-benzyl S-(5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl) carbonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-benzyl S-(5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl) carbonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.