C18H22ClN3OS2.ClH.1/2H2O
TL;DR: C18H22ClN3OS2.ClH.1/2H2O (CAS 75449-06-8) is a chemical compound with molecular formula C18H23Cl2N3OS2 and molecular weight 431.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)propan-1-one;hydrochloride
Also Known As: C18H22ClN3OS2.ClH.1/2H2O, 7-CHLORO-2-TRIFLUOROMETHYLQUINOLINE, C18-H22-Cl-N3-O-S2.Cl-H.1/2H2-O, 1-Propanone, 3-(4-(4-chlorophenyl)-1-piperazinyl)-1-(4-methyl-2-(methylthio)-5-thiazolyl)-, hydrochloride, hydrate (2:2:1), 3-[4-(4-Chlorophenyl)-1-piperazinyl]-1-[4-methyl-2-(methylsulfanyl)-1,3-thiazol-5-yl]-1-propanone hydrochloride
| Molecular Formula | C18H23Cl2N3OS2 |
|---|---|
| Molecular Weight | 431.07 g/mol |
| LogP | 4.64362 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.06595 |
| Heavy Atoms | 26 |
| Complexity | 728.5375 |
Chemical Identifiers
| CAS Number | 75449-06-8 |
|---|---|
| SMILES | CC1=C(SC(=N1)SC)C(=O)CCN2CCN(CC2)C3=CC=C(C=C3)Cl.Cl |
Product Overview
C18H22ClN3OS2.ClH.1/2H2O (CAS 75449-06-8), with molecular formula C18H23Cl2N3OS2 and molecular weight 431.07 g/mol. IUPAC: 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)propan-1-one;hydrochloride.
Chemical Property Profile of C18H22ClN3OS2.ClH.1/2H2O
Property Insights of C18H22ClN3OS2.ClH.1/2H2O
The XLogP value of 4.64362 indicates that C18H22ClN3OS2.ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.44 Ų, C18H22ClN3OS2.ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H22ClN3OS2.ClH.1/2H2O has 0 hydrogen bond donor(s) and 6 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 C18H22ClN3OS2.ClH.1/2H2O?
The CAS number of C18H22ClN3OS2.ClH.1/2H2O is 75449-06-8.
What is the molecular formula of C18H22ClN3OS2.ClH.1/2H2O?
The molecular formula of C18H22ClN3OS2.ClH.1/2H2O is C18H23Cl2N3OS2.
What is the molecular weight of C18H22ClN3OS2.ClH.1/2H2O?
The molecular weight of C18H22ClN3OS2.ClH.1/2H2O is 431.07 g/mol.
Where can I buy C18H22ClN3OS2.ClH.1/2H2O?
You can request a quote for C18H22ClN3OS2.ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H22ClN3OS2.ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C18H22ClN3OS2.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.