4L-513S
TL;DR: 4L-513S (CAS 318248-63-4) is a chemical compound with molecular formula C20H21ClN2OS2 and molecular weight 404.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-4-[(4-methoxyphenyl)sulfanylmethyl]-1-methyl-3-[(4-methylphenyl)sulfanylmethyl]pyrazole
Also Known As: 4L-513S, 5-chloro-4-{[(4-methoxyphenyl)sulfanyl]methyl}-1-methyl-3-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazole, 5-chloro-4-[(4-methoxyphenyl)sulfanylmethyl]-1-methyl-3-[(4-methylphenyl)sulfanylmethyl]pyrazole, 5-Chloro-4-[[(4-methoxyphenyl)thio]methyl]-1-methyl-3-[[(4-methylphenyl)thio]methyl]-1H-pyrazole
| Molecular Formula | C20H21ClN2OS2 |
|---|---|
| Molecular Weight | 404.08 g/mol |
| LogP | 5.97512 |
| Topological Polar Surface Area | 27.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.07837 |
| Heavy Atoms | 26 |
| Complexity | 860.76776 |
Chemical Identifiers
| CAS Number | 318248-63-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=NN(C(=C2CSC3=CC=C(C=C3)OC)Cl)C |
Product Overview
4L-513S (CAS 318248-63-4), with molecular formula C20H21ClN2OS2 and molecular weight 404.08 g/mol. IUPAC: 5-chloro-4-[(4-methoxyphenyl)sulfanylmethyl]-1-methyl-3-[(4-methylphenyl)sulfanylmethyl]pyrazole.
Chemical Property Profile of 4L-513S
Property Insights of 4L-513S
The XLogP value of 5.97512 indicates that 4L-513S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.05 Ų, 4L-513S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4L-513S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4L-513S?
The CAS number of 4L-513S is 318248-63-4.
What is the molecular formula of 4L-513S?
The molecular formula of 4L-513S is C20H21ClN2OS2.
What is the molecular weight of 4L-513S?
The molecular weight of 4L-513S is 404.08 g/mol.
Where can I buy 4L-513S?
You can request a quote for 4L-513S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4L-513S?
Yes, KEHONG BIO provides custom synthesis services for 4L-513S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.