Mol4
TL;DR: Mol4 (CAS 512800-53-2) is a chemical compound with molecular formula C30H20ClNO5S and molecular weight 541.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-2-oxoethyl] 2-[4-(4-methylphenyl)sulfanylphenyl]-1,3-dioxoisoindole-5-carboxylate
Also Known As: Mol4, [2-(4-chlorophenyl)-2-oxoethyl] 2-[4-(4-methylphenyl)sulfanylphenyl]-1,3-dioxoisoindole-5-carboxylate, 2-(4-chlorophenyl)-2-oxoethyl 2-{4-[(4-methylphenyl)sulfanyl]phenyl}-1,3-dioxo-5-isoindolinecarboxylate, 2-(4-Chlorophenyl)-2-oxoethyl 1,3-dioxo-2-(4-(p-tolylthio)phenyl)isoindoline-5-carboxylate, 2-(4-chlorophenyl)-2-oxoethyl 2-{4-[(4-methylphenyl)sulfanyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
| Molecular Formula | C30H20ClNO5S |
|---|---|
| Molecular Weight | 541.08 g/mol |
| LogP | 6.63992 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 541.0751 |
| Heavy Atoms | 38 |
| Complexity | 1564.274 |
Chemical Identifiers
| CAS Number | 512800-53-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OCC(=O)C5=CC=C(C=C5)Cl |
Product Overview
Mol4 (CAS 512800-53-2), with molecular formula C30H20ClNO5S and molecular weight 541.08 g/mol. IUPAC: [2-(4-chlorophenyl)-2-oxoethyl] 2-[4-(4-methylphenyl)sulfanylphenyl]-1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of Mol4
Property Insights of Mol4
The XLogP value of 6.63992 indicates that Mol4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Mol4. Following Lipinski's Rule of Five, Mol4 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mol4?
The CAS number of Mol4 is 512800-53-2.
What is the molecular formula of Mol4?
The molecular formula of Mol4 is C30H20ClNO5S.
What is the molecular weight of Mol4?
The molecular weight of Mol4 is 541.08 g/mol.
Where can I buy Mol4?
You can request a quote for Mol4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mol4?
Yes, KEHONG BIO provides custom synthesis services for Mol4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.