2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,5-xylyloxymethyl)-
TL;DR: 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,5-xylyloxymethyl)- (CAS 57841-38-0) is a chemical compound with molecular formula C13H17NO2S and molecular weight 251.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3,5-dimethylphenoxy)methyl]-1,3-oxazinane-2-thione
Also Known As: p-Anisyl-5-brompentylketon, 3,4,5,6-Tetrahydro-6-(3,5-xylyloxymethyl)-2H-1,3-oxazine-2-thione, 6-[(3,5-dimethylphenoxy)methyl]-1,3-oxazinane-2-thione, 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,5-xylyloxymethyl)-, 3,4,5,6-tetrahydro-6-2h-1,3-oxazine-2-thione
| Molecular Formula | C13H17NO2S |
|---|---|
| Molecular Weight | 251.10 g/mol |
| LogP | 2.34564 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.098 |
| Heavy Atoms | 17 |
| Complexity | 399.63052 |
Chemical Identifiers
| CAS Number | 57841-38-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCC2CCNC(=S)O2)C |
Product Overview
2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,5-xylyloxymethyl)- (CAS 57841-38-0), with molecular formula C13H17NO2S and molecular weight 251.10 g/mol. IUPAC: 6-[(3,5-dimethylphenoxy)methyl]-1,3-oxazinane-2-thione.
Chemical Property Profile of 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,5-xylyloxymethyl)-
Property Insights of 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,5-xylyloxymethyl)-
The XLogP value of 2.34564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,5-xylyloxymethyl)-. With a topological polar surface area (TPSA) of 30.49 Ų, 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,5-xylyloxymethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,5-xylyloxymethyl)- has 1 hydrogen bond donor(s) and 3 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 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,5-xylyloxymethyl)-?
The CAS number of 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,5-xylyloxymethyl)- is 57841-38-0.
What is the molecular formula of 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,5-xylyloxymethyl)-?
The molecular formula of 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,5-xylyloxymethyl)- is C13H17NO2S.
What is the molecular weight of 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,5-xylyloxymethyl)-?
The molecular weight of 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,5-xylyloxymethyl)- is 251.10 g/mol.
Where can I buy 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,5-xylyloxymethyl)-?
You can request a quote for 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,5-xylyloxymethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,5-xylyloxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,5-xylyloxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.