2-(4-Fluorophenyl)-1,3-thiazinane--hydrogen chloride (1/1)
TL;DR: 2-(4-Fluorophenyl)-1,3-thiazinane--hydrogen chloride (1/1) (CAS 79128-43-1) is a chemical compound with molecular formula C10H13ClFNS and molecular weight 233.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-1,3-thiazinane;hydrochloride
Also Known As: 2- -1,3-thiazinanehydrochloride, 2-(4-fluorophenyl)-1,3-thiazinane hydrochloride, 2H-1,3-Thiazine, tetrahydro-2-(p-fluorophenyl)-, hydrochloride, 2-(4-fluorophenyl)-1,3-thiazinane,hydrochloride, 2-(4-fluorophenyl)-1,3-thiazinane;hydrochloride
| Molecular Formula | C10H13ClFNS |
|---|---|
| Molecular Weight | 233.04 g/mol |
| LogP | 2.9726 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.04413 |
| Heavy Atoms | 14 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 79128-43-1 |
|---|---|
| SMILES | C1CNC(SC1)C2=CC=C(C=C2)F.Cl |
| InChIKey | CQJCAVWVUVOGGH-UHFFFAOYSA-N |
Product Overview
2-(4-Fluorophenyl)-1,3-thiazinane--hydrogen chloride (1/1) (CAS 79128-43-1), with molecular formula C10H13ClFNS and molecular weight 233.04 g/mol. IUPAC: 2-(4-fluorophenyl)-1,3-thiazinane;hydrochloride.
Chemical Property Profile of 2-(4-Fluorophenyl)-1,3-thiazinane--hydrogen chloride (1/1)
Property Insights of 2-(4-Fluorophenyl)-1,3-thiazinane--hydrogen chloride (1/1)
The XLogP value of 2.9726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Fluorophenyl)-1,3-thiazinane--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 37.3 Ų, 2-(4-Fluorophenyl)-1,3-thiazinane--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-1,3-thiazinane--hydrogen chloride (1/1) has 2 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 2-(4-Fluorophenyl)-1,3-thiazinane--hydrogen chloride (1/1)?
The CAS number of 2-(4-Fluorophenyl)-1,3-thiazinane--hydrogen chloride (1/1) is 79128-43-1.
What is the molecular formula of 2-(4-Fluorophenyl)-1,3-thiazinane--hydrogen chloride (1/1)?
The molecular formula of 2-(4-Fluorophenyl)-1,3-thiazinane--hydrogen chloride (1/1) is C10H13ClFNS.
What is the molecular weight of 2-(4-Fluorophenyl)-1,3-thiazinane--hydrogen chloride (1/1)?
The molecular weight of 2-(4-Fluorophenyl)-1,3-thiazinane--hydrogen chloride (1/1) is 233.04 g/mol.
Where can I buy 2-(4-Fluorophenyl)-1,3-thiazinane--hydrogen chloride (1/1)?
You can request a quote for 2-(4-Fluorophenyl)-1,3-thiazinane--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Fluorophenyl)-1,3-thiazinane--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorophenyl)-1,3-thiazinane--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.