RefChem:297107
TL;DR: RefChem:297107 (CAS 4734-11-6) is a chemical compound with molecular formula C19H23ClN2OS and molecular weight 362.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(dimethylamino)propyl]-2-phenyl-1,4-benzothiazin-3-one;hydrochloride
Also Known As: 4-(3-Dimethylaminopropyl)-2-phenyl-4H-1,4-benzothiazin-3(2H)-one hydrochloride, 4H-1,4-Benzothiazin-3(2H)-one, 4-(3-dimethylaminopropyl)-2-phenyl-, hydrochloride, 4-[3-(Dimethylamino)propyl]-2-phenyl-2H-1,4-benzothiazin-3(4H)-one hydrochloride, 4-[3-(dimethylamino)propyl]-2-phenyl-1,4-benzothiazin-3-one hydrochloride, 4-[3-(Dimethylamino)propyl]-2-phenyl-2H-1,4-benzothiazin-3(4H)-one--hydrogen chloride (1/1)
| Molecular Formula | C19H23ClN2OS |
|---|---|
| Molecular Weight | 362.12 g/mol |
| LogP | 4.2401 |
| Topological Polar Surface Area | 48.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.12195 |
| Heavy Atoms | 24 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 4734-11-6 |
|---|---|
| SMILES | CN(C)CCCN1C2=CC=CC=C2SC(C1=O)C3=CC=CC=C3.Cl |
| InChIKey | PFEMIXFWXFSGQB-UHFFFAOYSA-N |
Product Overview
RefChem:297107 (CAS 4734-11-6), with molecular formula C19H23ClN2OS and molecular weight 362.12 g/mol. IUPAC: 4-[3-(dimethylamino)propyl]-2-phenyl-1,4-benzothiazin-3-one;hydrochloride.
Chemical Property Profile of RefChem:297107
Property Insights of RefChem:297107
The XLogP value of 4.2401 indicates that RefChem:297107 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.9 Ų, RefChem:297107 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:297107 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 RefChem:297107?
The CAS number of RefChem:297107 is 4734-11-6.
What is the molecular formula of RefChem:297107?
The molecular formula of RefChem:297107 is C19H23ClN2OS.
What is the molecular weight of RefChem:297107?
The molecular weight of RefChem:297107 is 362.12 g/mol.
Where can I buy RefChem:297107?
You can request a quote for RefChem:297107 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:297107?
Yes, KEHONG BIO provides custom synthesis services for RefChem:297107 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.