RefChem:83823
TL;DR: RefChem:83823 (CAS 42585-60-4) is a chemical compound with molecular formula C21H29ClN2OS and molecular weight 392.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[3-(dimethylamino)propyl]-3-phenyl-2,3-dihydro-1,4-benzothiazin-2-yl]ethanol;hydrochloride
Also Known As: Sid 775388, 2-(1-Hydroxyethyl)-4-(3-(dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine, 2-(1-Hydroxyethyl)-4-(3-(dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine HCl, 4-(3-(Dimethylamino)propyl)-3,4-dihydro-alpha-methyl-3-phenyl-2H-1,4-benzothiazine-2-methanol, 1-[4-[3-(dimethylamino)propyl]-3-phenyl-2,3-dihydro-1,4-benzothiazin-2-yl]ethanol;hydrochloride
| Molecular Formula | C21H29ClN2OS |
|---|---|
| Molecular Weight | 392.17 g/mol |
| LogP | 4.4629 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.1689 |
| Heavy Atoms | 26 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 42585-60-4 |
|---|---|
| SMILES | CC(C1C(N(C2=CC=CC=C2S1)CCCN(C)C)C3=CC=CC=C3)O.Cl |
| InChIKey | DDOLUXRCVKFFOE-UHFFFAOYSA-N |
Product Overview
RefChem:83823 (CAS 42585-60-4), with molecular formula C21H29ClN2OS and molecular weight 392.17 g/mol. IUPAC: 1-[4-[3-(dimethylamino)propyl]-3-phenyl-2,3-dihydro-1,4-benzothiazin-2-yl]ethanol;hydrochloride.
Chemical Property Profile of RefChem:83823
Property Insights of RefChem:83823
The XLogP value of 4.4629 indicates that RefChem:83823 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:83823 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:83823 has 2 hydrogen bond donor(s) and 4 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:83823?
The CAS number of RefChem:83823 is 42585-60-4.
What is the molecular formula of RefChem:83823?
The molecular formula of RefChem:83823 is C21H29ClN2OS.
What is the molecular weight of RefChem:83823?
The molecular weight of RefChem:83823 is 392.17 g/mol.
Where can I buy RefChem:83823?
You can request a quote for RefChem:83823 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:83823?
Yes, KEHONG BIO provides custom synthesis services for RefChem:83823 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.