Azetidine, 1-(3,4,5-trimethoxythiobenzoyl)-
TL;DR: Azetidine, 1-(3,4,5-trimethoxythiobenzoyl)- (CAS 68208-98-0) is a chemical compound with molecular formula C13H17NO3S and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azetidin-1-yl-(3,4,5-trimethoxyphenyl)methanethione
Also Known As: 1-(3,4,5-Trimethoxythiobenzoyl)azetidine, AZETIDINE, 1-(3,4,5-TRIMETHOXYTHIOBENZOYL)-, 1-(3,4,5-trimethoxybenzenecarbothioyl)azetidine, (Azetidin-1-yl)(3,4,5-trimethoxyphenyl)methanethione, azetidin-1-yl-(3,4,5-trimethoxyphenyl)methanethione
| Molecular Formula | C13H17NO3S |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 63.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.09293 |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 68208-98-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=S)N2CCC2 |
| InChIKey | FQBLOGPSRNAHTM-UHFFFAOYSA-N |
Product Overview
Azetidine, 1-(3,4,5-trimethoxythiobenzoyl)- (CAS 68208-98-0), with molecular formula C13H17NO3S and molecular weight 267.09 g/mol. IUPAC: azetidin-1-yl-(3,4,5-trimethoxyphenyl)methanethione.
Chemical Property Profile of Azetidine, 1-(3,4,5-trimethoxythiobenzoyl)-
Property Insights of Azetidine, 1-(3,4,5-trimethoxythiobenzoyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azetidine, 1-(3,4,5-trimethoxythiobenzoyl)-. The TPSA of 63.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Azetidine, 1-(3,4,5-trimethoxythiobenzoyl)-. Following Lipinski's Rule of Five, Azetidine, 1-(3,4,5-trimethoxythiobenzoyl)- has 0 hydrogen bond donor(s) and 4 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 Azetidine, 1-(3,4,5-trimethoxythiobenzoyl)-?
The CAS number of Azetidine, 1-(3,4,5-trimethoxythiobenzoyl)- is 68208-98-0.
What is the molecular formula of Azetidine, 1-(3,4,5-trimethoxythiobenzoyl)-?
The molecular formula of Azetidine, 1-(3,4,5-trimethoxythiobenzoyl)- is C13H17NO3S.
What is the molecular weight of Azetidine, 1-(3,4,5-trimethoxythiobenzoyl)-?
The molecular weight of Azetidine, 1-(3,4,5-trimethoxythiobenzoyl)- is 267.09 g/mol.
Where can I buy Azetidine, 1-(3,4,5-trimethoxythiobenzoyl)-?
You can request a quote for Azetidine, 1-(3,4,5-trimethoxythiobenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azetidine, 1-(3,4,5-trimethoxythiobenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for Azetidine, 1-(3,4,5-trimethoxythiobenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.