C14H16ClN3S.2ClH.1/2H2O
TL;DR: C14H16ClN3S.2ClH.1/2H2O (CAS 73553-63-6) is a chemical compound with molecular formula C14H18Cl3N3S and molecular weight 365.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride
Also Known As: C14H16ClN3S.2ClH.1/2H2O, C14-H16-Cl-N3-S.2Cl-H.1/2H2-O, Piperazine, 1-(4-((2-chlorophenyl)methyl)-2-thiazolyl)-, hydrochloride, hydrate (2:4:1), ((Chloro-2 benzyl)-4 thiazolyl-2)-1 piperazine dichlorhydrate hemihydrate [French], 1-(4-((2-Chlorophenyl)methyl)-2-thiazolyl)piperazine hydrochloride hydrate (2:4:1)
| Molecular Formula | C14H18Cl3N3S |
|---|---|
| Molecular Weight | 365.03 g/mol |
| LogP | 3.6405 |
| Topological Polar Surface Area | 28.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.02872 |
| Heavy Atoms | 21 |
| Complexity | 555.90216 |
Chemical Identifiers
| CAS Number | 73553-63-6 |
|---|---|
| SMILES | C1CN(CCN1)C2=NC(=CS2)CC3=CC=CC=C3Cl.Cl.Cl |
Product Overview
C14H16ClN3S.2ClH.1/2H2O (CAS 73553-63-6), with molecular formula C14H18Cl3N3S and molecular weight 365.03 g/mol. IUPAC: 4-[(2-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride.
Chemical Property Profile of C14H16ClN3S.2ClH.1/2H2O
Property Insights of C14H16ClN3S.2ClH.1/2H2O
The XLogP value of 3.6405 indicates that C14H16ClN3S.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, C14H16ClN3S.2ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C14H16ClN3S.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 C14H16ClN3S.2ClH.1/2H2O?
The CAS number of C14H16ClN3S.2ClH.1/2H2O is 73553-63-6.
What is the molecular formula of C14H16ClN3S.2ClH.1/2H2O?
The molecular formula of C14H16ClN3S.2ClH.1/2H2O is C14H18Cl3N3S.
What is the molecular weight of C14H16ClN3S.2ClH.1/2H2O?
The molecular weight of C14H16ClN3S.2ClH.1/2H2O is 365.03 g/mol.
Where can I buy C14H16ClN3S.2ClH.1/2H2O?
You can request a quote for C14H16ClN3S.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 C14H16ClN3S.2ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C14H16ClN3S.2ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.