1,1,1-Trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol
TL;DR: 1,1,1-Trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol (CAS 478068-13-2) is a chemical compound with molecular formula C7H12F3NOS and molecular weight 215.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol
Also Known As: Bionet2_000542, 1,1,1-trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol, 1,1,1-trifluoro-3-(thiomorpholin-4-yl)propan-2-ol, 1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol, 1,1,1-trifluoro-3-thiomorpholino-propan-2-ol
| Molecular Formula | C7H12F3NOS |
|---|---|
| Molecular Weight | 215.06 g/mol |
| LogP | 0.9584 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.05917 |
| Heavy Atoms | 13 |
| Complexity | 158.30687 |
Chemical Identifiers
| CAS Number | 478068-13-2 |
|---|---|
| SMILES | C1CSCCN1CC(C(F)(F)F)O |
Product Overview
1,1,1-Trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol (CAS 478068-13-2), with molecular formula C7H12F3NOS and molecular weight 215.06 g/mol. IUPAC: 1,1,1-trifluoro-3-thiomorpholin-4-ylpropan-2-ol.
Chemical Property Profile of 1,1,1-Trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol
Property Insights of 1,1,1-Trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol
The XLogP value of 0.9584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol. With a topological polar surface area (TPSA) of 23.47 Ų, 1,1,1-Trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol 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 1,1,1-Trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol?
The CAS number of 1,1,1-Trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol is 478068-13-2.
What is the molecular formula of 1,1,1-Trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol?
The molecular formula of 1,1,1-Trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol is C7H12F3NOS.
What is the molecular weight of 1,1,1-Trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol?
The molecular weight of 1,1,1-Trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol is 215.06 g/mol.
Where can I buy 1,1,1-Trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol?
You can request a quote for 1,1,1-Trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-3-(1,4-thiazinan-4-yl)-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.