ML 1042

[2-[2-(4-chlorophenoxy)acetyl]oxy-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl] 2-(4-chlorophenoxy)acetate

CAS: 54504-72-2

Molecular Formula	`C26H24Cl2N4O8`
Molecular Weight	591.4 g/mol
LogP	4.0
Topological Polar Surface Area	130.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	13
Exact Mass	590.0971
Heavy Atoms	40
Complexity	913.0

Chemical Identifiers

CAS Number	54504-72-2
SMILES	`CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COC(=O)COC3=CC=C(C=C3)Cl)OC(=O)COC4=CC=C(C=C4)Cl`
InChIKey	`MASPOVFZXOCNOE-UHFFFAOYSA-N`

📖 Product Overview

ML 1042 (CAS: 54504-72-2) is a chemical compound with molecular formula C26H24Cl2N4O8 and molecular weight 591.4 g/mol. Its IUPAC systematic name is [2-[2-(4-chlorophenoxy)acetyl]oxy-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl] 2-(4-chlorophenoxy)acetate. LogP 4.0 Topological Polar Surface Area 130.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 9 Rotatable Bonds 13 Exact Mass 590.0971 Heavy Atoms 40 Complexity 913.0 InChI Key: MASPOVFZXOCNOE-UHFFFAOYSA-N. SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COC(=O)COC3=CC=C(C=C3)Cl)OC(=O)COC4=CC=C(C=C4)Cl.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Frequently Asked Questions

What is the typical lead time for this product?

Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.

Can you provide samples for testing?

Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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