C21H21N3OS.2ClH.1/2H2O
TL;DR: C21H21N3OS.2ClH.1/2H2O (CAS 73553-73-8) is a chemical compound with molecular formula C21H23Cl2N3OS and molecular weight 435.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-[4-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]phenyl]methanone;dihydrochloride
Also Known As: C21H21N3OS.2ClH.1/2H2O, C21-H21-N3-O-S.2Cl-H.1/2H2-O, Methanone, phenyl(4-((2-(1-piperazinyl)-4-thiazolyl)methyl)phenyl)-, hydrochloride, hydrate (2:4:1), ((Benzoyl-4 benzyl)-4 thiazolyl-2)-1 piperazine dichlorhydrate hemihydrate [French], ((Benzoyl-4 benzyl)-4 thiazolyl-2)-1 piperazine dichlorhydrate hemihydrate
| Molecular Formula | C21H23Cl2N3OS |
|---|---|
| Molecular Weight | 435.09 g/mol |
| LogP | 4.2181 |
| Topological Polar Surface Area | 45.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.0939 |
| Heavy Atoms | 28 |
| Complexity | 878.181 |
Chemical Identifiers
| CAS Number | 73553-73-8 |
|---|---|
| SMILES | C1CN(CCN1)C2=NC(=CS2)CC3=CC=C(C=C3)C(=O)C4=CC=CC=C4.Cl.Cl |
Product Overview
C21H21N3OS.2ClH.1/2H2O (CAS 73553-73-8), with molecular formula C21H23Cl2N3OS and molecular weight 435.09 g/mol. IUPAC: phenyl-[4-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]phenyl]methanone;dihydrochloride.
Chemical Property Profile of C21H21N3OS.2ClH.1/2H2O
Property Insights of C21H21N3OS.2ClH.1/2H2O
The XLogP value of 4.2181 indicates that C21H21N3OS.2ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.23 Ų, C21H21N3OS.2ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H21N3OS.2ClH.1/2H2O has 1 hydrogen bond donor(s) and 5 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 C21H21N3OS.2ClH.1/2H2O?
The CAS number of C21H21N3OS.2ClH.1/2H2O is 73553-73-8.
What is the molecular formula of C21H21N3OS.2ClH.1/2H2O?
The molecular formula of C21H21N3OS.2ClH.1/2H2O is C21H23Cl2N3OS.
What is the molecular weight of C21H21N3OS.2ClH.1/2H2O?
The molecular weight of C21H21N3OS.2ClH.1/2H2O is 435.09 g/mol.
Where can I buy C21H21N3OS.2ClH.1/2H2O?
You can request a quote for C21H21N3OS.2ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H21N3OS.2ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C21H21N3OS.2ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.