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Ro 31-8425 structure
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Ro 31-8425

TL;DR: Ro 31-8425 (CAS 131848-97-0) is a chemical compound with molecular formula C26H24N4O2 and molecular weight 424.1899 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

SID:57309838

3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

Also Known As: bisindolylmaleimide x, Ro-31-8425, Bisindolylmaleimide deriv. 9b, Ro31.8425, Ro 31-8425

CAS Number
131848-97-0
Molecular Formula
C26H24N4O2
Molecular Weight
424.1899 g/mol
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Application Areas

Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.

Analytical Reagents (2 patents) Biotechnology (1 patents) Heterocyclic Building Blocks (6 patents) Peptides & Amino Acids (1 patents) Pharmaceutical Intermediates (7 patents)

Technical Specifications

Molecular FormulaC26H24N4O2
Molecular Weight424.1899 g/mol
XLogP2.4
Topological Polar Surface Area (TPSA)82.1 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors3
Rotatable Bonds3
Exact Mass424.1899 Da
Heavy Atoms32
Complexity825.0
SMILESCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CC(CCN5C6=CC=CC=C64)CN
InChIKeyQQKKPWJFHBFCTH-UHFFFAOYSA-N

Chemical Property Profile of Ro 31-8425

XLogP
2.4
TPSA (Topological Polar Surface Area)
82.1
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
Rotatable Bonds
3
Heavy Atoms
32
Complexity
825.0
Exact Mass
424.1899
Monoisotopic Mass
424.1899
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 Ro 31-8425

The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 31-8425. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 31-8425. Following Lipinski's Rule of Five, Ro 31-8425 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Ro 31-8425?

The CAS number of Ro 31-8425 is 131848-97-0.

What is the molecular formula of Ro 31-8425?

The molecular formula of Ro 31-8425 is C26H24N4O2.

What is the molecular weight of Ro 31-8425?

The molecular weight of Ro 31-8425 is 424.1899 g/mol.

Where can I buy Ro 31-8425?

You can request a quote for Ro 31-8425 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Ro 31-8425?

Yes, CoreyChem provides custom synthesis services for Ro 31-8425 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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