8L-518S
TL;DR: 8L-518S (CAS 866136-35-8) is a chemical compound with molecular formula C21H23Cl2NO6S and molecular weight 487.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-[2,4-dichloro-5-(2-methoxyethoxy)anilino]-2-hydroxy-2-methyl-3-oxopropyl]sulfanylbenzoate
Also Known As: 8L-518S, methyl 2-({3-[2,4-dichloro-5-(2-methoxyethoxy)anilino]-2-hydroxy-2-methyl-3-oxopropyl}sulfanyl)benzenecarboxylate, methyl 2-[3-[2,4-dichloro-5-(2-methoxyethoxy)anilino]-2-hydroxy-2-methyl-3-oxopropyl]sulfanylbenzoate, methyl 2-[(2-{[2,4-dichloro-5-(2-methoxyethoxy)phenyl]carbamoyl}-2-hydroxy-2-methylethyl)sulfanyl]benzoate, Methyl 2-[2-[[2,4-dichloro-5-(2-methoxyethoxy)phenyl]carbamoyl]-2-hydroxy-propyl]sulfanylbenzoate
| Molecular Formula | C21H23Cl2NO6S |
|---|---|
| Molecular Weight | 487.06 g/mol |
| LogP | 4.287 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 487.06232 |
| Heavy Atoms | 31 |
| Complexity | 938.0811 |
Chemical Identifiers
| CAS Number | 866136-35-8 |
|---|---|
| SMILES | CC(CSC1=CC=CC=C1C(=O)OC)(C(=O)NC2=CC(=C(C=C2Cl)Cl)OCCOC)O |
Product Overview
8L-518S (CAS 866136-35-8), with molecular formula C21H23Cl2NO6S and molecular weight 487.06 g/mol. IUPAC: methyl 2-[3-[2,4-dichloro-5-(2-methoxyethoxy)anilino]-2-hydroxy-2-methyl-3-oxopropyl]sulfanylbenzoate.
Chemical Property Profile of 8L-518S
Property Insights of 8L-518S
The XLogP value of 4.287 indicates that 8L-518S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 8L-518S. Following Lipinski's Rule of Five, 8L-518S has 2 hydrogen bond donor(s) and 7 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 8L-518S?
The CAS number of 8L-518S is 866136-35-8.
What is the molecular formula of 8L-518S?
The molecular formula of 8L-518S is C21H23Cl2NO6S.
What is the molecular weight of 8L-518S?
The molecular weight of 8L-518S is 487.06 g/mol.
Where can I buy 8L-518S?
You can request a quote for 8L-518S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8L-518S?
Yes, KEHONG BIO provides custom synthesis services for 8L-518S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.