C34H32N4S4.2ClH.1/2H2O
TL;DR: C34H32N4S4.2ClH.1/2H2O (CAS 70891-55-3) is a chemical compound with molecular formula C17H17ClN2S2 and molecular weight 348.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-naphthalen-2-yl-1,3-dithiolan-2-yl)methyl]imidazole;hydrochloride
Also Known As: C34H32N4S4.2ClH.1/2H2O, 1H-Imidazole, 1-((2-(2-naphthalenyl)-1,3-dithiolan-2-yl)methyl)-, dihydrochloride, hydrate (2:2:1), C34-H32-N4-S4.2Cl-H.1/2H2-O, 1-[(2-naphthalen-2-yl-1,3-dithiolan-2-yl)methyl]imidazole hydrochloride, 1-{[2-(Naphthalen-2-yl)-1,3-dithiolan-2-yl]methyl}-1H-imidazole--hydrogen chloride (1/1)
| Molecular Formula | C17H17ClN2S2 |
|---|---|
| Molecular Weight | 348.05 g/mol |
| LogP | 4.7911 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.05215 |
| Heavy Atoms | 22 |
| Complexity | 752.20465 |
Chemical Identifiers
| CAS Number | 70891-55-3 |
|---|---|
| SMILES | C1CSC(S1)(CN2C=CN=C2)C3=CC4=CC=CC=C4C=C3.Cl |
Product Overview
C34H32N4S4.2ClH.1/2H2O (CAS 70891-55-3), with molecular formula C17H17ClN2S2 and molecular weight 348.05 g/mol. IUPAC: 1-[(2-naphthalen-2-yl-1,3-dithiolan-2-yl)methyl]imidazole;hydrochloride.
Chemical Property Profile of C34H32N4S4.2ClH.1/2H2O
Property Insights of C34H32N4S4.2ClH.1/2H2O
The XLogP value of 4.7911 indicates that C34H32N4S4.2ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, C34H32N4S4.2ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C34H32N4S4.2ClH.1/2H2O has 0 hydrogen bond donor(s) and 3 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 C34H32N4S4.2ClH.1/2H2O?
The CAS number of C34H32N4S4.2ClH.1/2H2O is 70891-55-3.
What is the molecular formula of C34H32N4S4.2ClH.1/2H2O?
The molecular formula of C34H32N4S4.2ClH.1/2H2O is C17H17ClN2S2.
What is the molecular weight of C34H32N4S4.2ClH.1/2H2O?
The molecular weight of C34H32N4S4.2ClH.1/2H2O is 348.05 g/mol.
Where can I buy C34H32N4S4.2ClH.1/2H2O?
You can request a quote for C34H32N4S4.2ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C34H32N4S4.2ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C34H32N4S4.2ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.