2-(3-Bromophenyl)-1,3-thiazinane--hydrogen chloride (1/1)
TL;DR: 2-(3-Bromophenyl)-1,3-thiazinane--hydrogen chloride (1/1) (CAS 79128-47-5) is a chemical compound with molecular formula C10H13BrClNS and molecular weight 292.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromophenyl)-1,3-thiazinane;hydrochloride
Also Known As: 2-(m-Bromophenyl)tetrahydro-2H-1,3-thiazine hydrochloride, 2-(3-bromophenyl)-1,3-thiazinane hydrochloride, 2-(3-bromophenyl)-1,3-thiazinane,hydrochloride, 2H-1,3-Thiazine, tetrahydro-2-(m-bromophenyl)-, hydrochloride, 2-(3-Bromophenyl)-1,3-thiazinane--hydrogen chloride (1/1)
| Molecular Formula | C10H13BrClNS |
|---|---|
| Molecular Weight | 292.96 g/mol |
| LogP | 3.596 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 292.96405 |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 79128-47-5 |
|---|---|
| SMILES | C1CNC(SC1)C2=CC(=CC=C2)Br.Cl |
| InChIKey | BTEBOTARONHXKZ-UHFFFAOYSA-N |
Product Overview
2-(3-Bromophenyl)-1,3-thiazinane--hydrogen chloride (1/1) (CAS 79128-47-5), with molecular formula C10H13BrClNS and molecular weight 292.96 g/mol. IUPAC: 2-(3-bromophenyl)-1,3-thiazinane;hydrochloride.
Chemical Property Profile of 2-(3-Bromophenyl)-1,3-thiazinane--hydrogen chloride (1/1)
Property Insights of 2-(3-Bromophenyl)-1,3-thiazinane--hydrogen chloride (1/1)
The XLogP value of 3.596 indicates that 2-(3-Bromophenyl)-1,3-thiazinane--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(3-Bromophenyl)-1,3-thiazinane--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Bromophenyl)-1,3-thiazinane--hydrogen chloride (1/1) has 2 hydrogen bond donor(s) and 2 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-(3-Bromophenyl)-1,3-thiazinane--hydrogen chloride (1/1)?
The CAS number of 2-(3-Bromophenyl)-1,3-thiazinane--hydrogen chloride (1/1) is 79128-47-5.
What is the molecular formula of 2-(3-Bromophenyl)-1,3-thiazinane--hydrogen chloride (1/1)?
The molecular formula of 2-(3-Bromophenyl)-1,3-thiazinane--hydrogen chloride (1/1) is C10H13BrClNS.
What is the molecular weight of 2-(3-Bromophenyl)-1,3-thiazinane--hydrogen chloride (1/1)?
The molecular weight of 2-(3-Bromophenyl)-1,3-thiazinane--hydrogen chloride (1/1) is 292.96 g/mol.
Where can I buy 2-(3-Bromophenyl)-1,3-thiazinane--hydrogen chloride (1/1)?
You can request a quote for 2-(3-Bromophenyl)-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-(3-Bromophenyl)-1,3-thiazinane--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Bromophenyl)-1,3-thiazinane--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.