4M-536S
TL;DR: 4M-536S (CAS 338748-01-9) is a chemical compound with molecular formula C21H19ClN2O3S2 and molecular weight 446.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]sulfanylbenzoate
Also Known As: 4M-536S, Methyl 2-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]sulfanylbenzoate, methyl 2-{[2-[(4-chlorobenzyl)sulfanyl]-6-(methoxymethyl)-4-pyrimidinyl]sulfanyl}benzenecarboxylate, methyl 2-[(2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(methoxymethyl)pyrimidin-4-yl)sulfanyl]benzoate, Methyl 2-((2-((4-chlorobenzyl)thio)-6-(methoxymethyl)pyrimidin-4-yl)thio)benzoate
| Molecular Formula | C21H19ClN2O3S2 |
|---|---|
| Molecular Weight | 446.05 g/mol |
| LogP | 5.5065 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.05255 |
| Heavy Atoms | 29 |
| Complexity | 983.91516 |
Chemical Identifiers
| CAS Number | 338748-01-9 |
|---|---|
| SMILES | COCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)Cl)SC3=CC=CC=C3C(=O)OC |
Product Overview
4M-536S (CAS 338748-01-9), with molecular formula C21H19ClN2O3S2 and molecular weight 446.05 g/mol. IUPAC: methyl 2-[2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-yl]sulfanylbenzoate.
Chemical Property Profile of 4M-536S
Property Insights of 4M-536S
The XLogP value of 5.5065 indicates that 4M-536S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4M-536S. Following Lipinski's Rule of Five, 4M-536S has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4M-536S?
The CAS number of 4M-536S is 338748-01-9.
What is the molecular formula of 4M-536S?
The molecular formula of 4M-536S is C21H19ClN2O3S2.
What is the molecular weight of 4M-536S?
The molecular weight of 4M-536S is 446.05 g/mol.
Where can I buy 4M-536S?
You can request a quote for 4M-536S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4M-536S?
Yes, KEHONG BIO provides custom synthesis services for 4M-536S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.