4L-547S
TL;DR: 4L-547S (CAS 318248-72-5) is a chemical compound with molecular formula C18H15Cl3N2S2 and molecular weight 427.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-4-[(2,6-dichlorophenyl)sulfanylmethyl]-1-methyl-3-(phenylsulfanylmethyl)pyrazole
Also Known As: 4L-547S, 5-chloro-4-{[(2,6-dichlorophenyl)sulfanyl]methyl}-1-methyl-3-[(phenylsulfanyl)methyl]-1H-pyrazole, 5-chloro-4-[(2,6-dichlorophenyl)sulfanylmethyl]-1-methyl-3-(phenylsulfanylmethyl)pyrazole
| Molecular Formula | C18H15Cl3N2S2 |
|---|---|
| Molecular Weight | 427.97 g/mol |
| LogP | 6.9649 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.9742 |
| Heavy Atoms | 25 |
| Complexity | 846.00775 |
Chemical Identifiers
| CAS Number | 318248-72-5 |
|---|---|
| SMILES | CN1C(=C(C(=N1)CSC2=CC=CC=C2)CSC3=C(C=CC=C3Cl)Cl)Cl |
Product Overview
4L-547S (CAS 318248-72-5), with molecular formula C18H15Cl3N2S2 and molecular weight 427.97 g/mol. IUPAC: 5-chloro-4-[(2,6-dichlorophenyl)sulfanylmethyl]-1-methyl-3-(phenylsulfanylmethyl)pyrazole.
Chemical Property Profile of 4L-547S
Property Insights of 4L-547S
The XLogP value of 6.9649 indicates that 4L-547S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 4L-547S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4L-547S 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 4L-547S?
The CAS number of 4L-547S is 318248-72-5.
What is the molecular formula of 4L-547S?
The molecular formula of 4L-547S is C18H15Cl3N2S2.
What is the molecular weight of 4L-547S?
The molecular weight of 4L-547S is 427.97 g/mol.
Where can I buy 4L-547S?
You can request a quote for 4L-547S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4L-547S?
Yes, KEHONG BIO provides custom synthesis services for 4L-547S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.