C18H16Cl2N2S
TL;DR: C18H16Cl2N2S (CAS 315247-10-0) is a chemical compound with molecular formula C18H16Cl2N2S and molecular weight 362.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,4-dichlorophenyl)methylsulfanyl]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-((2,4-dichlorobenzyl)thio)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-[(2,4-dichlorobenzyl)sulfanyl]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C18H16Cl2N2S |
|---|---|
| Molecular Weight | 362.04 g/mol |
| LogP | 5.7396 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.04114 |
| Heavy Atoms | 23 |
| Complexity | 796.5842 |
Chemical Identifiers
| CAS Number | 315247-10-0 |
|---|---|
| SMILES | CC1=C2CCCCC2=C(C(=N1)SCC3=C(C=C(C=C3)Cl)Cl)C#N |
Product Overview
C18H16Cl2N2S (CAS 315247-10-0), with molecular formula C18H16Cl2N2S and molecular weight 362.04 g/mol. IUPAC: 3-[(2,4-dichlorophenyl)methylsulfanyl]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of C18H16Cl2N2S
Property Insights of C18H16Cl2N2S
The XLogP value of 5.7396 indicates that C18H16Cl2N2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, C18H16Cl2N2S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H16Cl2N2S has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C18H16Cl2N2S?
The CAS number of C18H16Cl2N2S is 315247-10-0.
What is the molecular formula of C18H16Cl2N2S?
The molecular formula of C18H16Cl2N2S is C18H16Cl2N2S.
What is the molecular weight of C18H16Cl2N2S?
The molecular weight of C18H16Cl2N2S is 362.04 g/mol.
Where can I buy C18H16Cl2N2S?
You can request a quote for C18H16Cl2N2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H16Cl2N2S?
Yes, KEHONG BIO provides custom synthesis services for C18H16Cl2N2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.