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3-Acridin-9-ylalanine structure
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3-Acridin-9-ylalanine

TL;DR: 3-Acridin-9-ylalanine (CAS 62978-39-6) is a chemical compound with molecular formula C16H14N2O2 and molecular weight 266.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-acridin-9-yl-2-aminopropanoic acid

Also Known As: 3-acridin-9-ylalanine, beta-(9-Acridyl)-alpha-alanine, 3-(Acridin-9-yl)alanine, alpha-Amino-9-acridinepropanoic acid, 3-acridin-9-yl-2-aminopropanoic acid

CAS Number
62978-39-6
Molecular Formula
C16H14N2O2
Molecular Weight
266.10553 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 (8 patents) Pharmaceutical Intermediates (9 patents)

Technical Specifications

Molecular FormulaC16H14N2O2
Molecular Weight266.10553 g/mol
XLogP0.2
Topological Polar Surface Area (TPSA)76.2 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors4
Rotatable Bonds3
Exact Mass266.10553 Da
Heavy Atoms20
Complexity338.0
SMILESC1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CC(C(=O)O)N
InChIKeyTVENYZXWOKGGHI-UHFFFAOYSA-N

Chemical Property Profile of 3-Acridin-9-ylalanine

XLogP
0.2
TPSA (Topological Polar Surface Area)
76.2
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
20
Complexity
338.0
Exact Mass
266.10553
Monoisotopic Mass
266.10553
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 3-Acridin-9-ylalanine

The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acridin-9-ylalanine. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acridin-9-ylalanine. Following Lipinski's Rule of Five, 3-Acridin-9-ylalanine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 3-Acridin-9-ylalanine?

The CAS number of 3-Acridin-9-ylalanine is 62978-39-6.

What is the molecular formula of 3-Acridin-9-ylalanine?

The molecular formula of 3-Acridin-9-ylalanine is C16H14N2O2.

What is the molecular weight of 3-Acridin-9-ylalanine?

The molecular weight of 3-Acridin-9-ylalanine is 266.10553 g/mol.

Where can I buy 3-Acridin-9-ylalanine?

You can request a quote for 3-Acridin-9-ylalanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 3-Acridin-9-ylalanine?

Yes, CoreyChem provides custom synthesis services for 3-Acridin-9-ylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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