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PMS 601 structure
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PMS 601

TL;DR: PMS 601 (CAS 158978-98-4) is a chemical compound with molecular formula C30H41N3O10 and molecular weight 603.2792 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N,N-diethylcarbamate

Also Known As: PMS 601, PMS601, J1.371.045G, [1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N,N-diethylcarbamate, Carbamic acid, N,N-diethyl-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester

CAS Number
158978-98-4
Molecular Formula
C30H41N3O10
Molecular Weight
603.2792 g/mol
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Application Areas

Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.

Heterocyclic Building Blocks (6 patents) Pharmaceutical Intermediates (5 patents)

Technical Specifications

Molecular FormulaC30H41N3O10
Molecular Weight603.2792 g/mol
XLogP2.8
Topological Polar Surface Area (TPSA)126.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors10
Rotatable Bonds13
Exact Mass603.2792 Da
Heavy Atoms43
Complexity877.0
SMILESCCN(CC)C(=O)OCC1CN(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChIKeyQKSXEJNMSRTCRE-UHFFFAOYSA-N

Chemical Property Profile of PMS 601

XLogP
2.8
TPSA (Topological Polar Surface Area)
126.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
10
Rotatable Bonds
13
Heavy Atoms
43
Complexity
877.0
Exact Mass
603.2792
Monoisotopic Mass
603.2792
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of PMS 601

The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PMS 601. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for PMS 601. Following Lipinski's Rule of Five, PMS 601 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of PMS 601?

The CAS number of PMS 601 is 158978-98-4.

What is the molecular formula of PMS 601?

The molecular formula of PMS 601 is C30H41N3O10.

What is the molecular weight of PMS 601?

The molecular weight of PMS 601 is 603.2792 g/mol.

Where can I buy PMS 601?

You can request a quote for PMS 601 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for PMS 601?

Yes, CoreyChem provides custom synthesis services for PMS 601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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