3-(Morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione
TL;DR: 3-(Morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione (CAS 70705-09-8) is a chemical compound with molecular formula C16H21N3O5S and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione
Also Known As: 3-(morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione, 3-(morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-ox, 3-[(Morpholin-4-yl)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione
| Molecular Formula | C16H21N3O5S |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.12018 |
| Heavy Atoms | 25 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 70705-09-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN(C(=S)O2)CN3CCOCC3 |
| InChIKey | ZBXSOKMUKYNTMP-UHFFFAOYSA-N |
Product Overview
3-(Morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione (CAS 70705-09-8), with molecular formula C16H21N3O5S and molecular weight 367.12 g/mol. IUPAC: 3-(morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 3-(Morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione
Property Insights of 3-(Morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione. Following Lipinski's Rule of Five, 3-(Morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione has 0 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 3-(Morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione?
The CAS number of 3-(Morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione is 70705-09-8.
What is the molecular formula of 3-(Morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione?
The molecular formula of 3-(Morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione is C16H21N3O5S.
What is the molecular weight of 3-(Morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione?
The molecular weight of 3-(Morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione is 367.12 g/mol.
Where can I buy 3-(Morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione?
You can request a quote for 3-(Morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(Morpholin-4-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.