C20H21N3S.2ClH.1/2H2O
TL;DR: C20H21N3S.2ClH.1/2H2O (CAS 73553-62-5) is a chemical compound with molecular formula C20H23Cl2N3S and molecular weight 407.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-phenylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride
Also Known As: C20H21N3S.2ClH.1/2H2O, C20-H21-N3-S.2Cl-H.1/2H2-O, Piperazine, 1-(4-((1,1'-biphenyl)-4-ylmethyl)-2-thiazolyl)-, hydrochloride, hydrate (2:4:1), ((Biphenylyl-4 methyl)-4 thiazolyl-2)-1 piperazine dichlorhydrate hemihydrate [French], 1-(4-((1,1'-Biphenyl)-4-ylmethyl)-2-thiazolyl)piperazine hydrochloride hydrate (2:4:1)
| Molecular Formula | C20H23Cl2N3S |
|---|---|
| Molecular Weight | 407.10 g/mol |
| LogP | 4.6541 |
| Topological Polar Surface Area | 28.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.09897 |
| Heavy Atoms | 26 |
| Complexity | 784.3307 |
Chemical Identifiers
| CAS Number | 73553-62-5 |
|---|---|
| SMILES | C1CN(CCN1)C2=NC(=CS2)CC3=CC=C(C=C3)C4=CC=CC=C4.Cl.Cl |
Product Overview
C20H21N3S.2ClH.1/2H2O (CAS 73553-62-5), with molecular formula C20H23Cl2N3S and molecular weight 407.10 g/mol. IUPAC: 4-[(4-phenylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride.
Chemical Property Profile of C20H21N3S.2ClH.1/2H2O
Property Insights of C20H21N3S.2ClH.1/2H2O
The XLogP value of 4.6541 indicates that C20H21N3S.2ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.16 Ų, C20H21N3S.2ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H21N3S.2ClH.1/2H2O has 1 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 C20H21N3S.2ClH.1/2H2O?
The CAS number of C20H21N3S.2ClH.1/2H2O is 73553-62-5.
What is the molecular formula of C20H21N3S.2ClH.1/2H2O?
The molecular formula of C20H21N3S.2ClH.1/2H2O is C20H23Cl2N3S.
What is the molecular weight of C20H21N3S.2ClH.1/2H2O?
The molecular weight of C20H21N3S.2ClH.1/2H2O is 407.10 g/mol.
Where can I buy C20H21N3S.2ClH.1/2H2O?
You can request a quote for C20H21N3S.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 C20H21N3S.2ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C20H21N3S.2ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.