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Dehydroleucine structure
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Dehydroleucine

TL;DR: Dehydroleucine (CAS 113586-23-5) is a chemical compound with molecular formula C6H11NO2 and molecular weight 129.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(Z)-2-amino-4-methylpent-2-enoic acid

Also Known As: Dehydroleucine, delta(Z)-Leucine, Hydantoin Impurity 9, Hydantoin Impurity 12, (Z)-2-amino-4-methylpent-2-enoic acid

CAS Number
113586-23-5
Molecular Formula
C6H11NO2
Molecular Weight
129.07898 g/mol
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Technical Specifications

Molecular FormulaC6H11NO2
Molecular Weight129.07898 g/mol
XLogP0.9
Topological Polar Surface Area (TPSA)63.3 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors3
Rotatable Bonds2
Exact Mass129.07898 Da
Heavy Atoms9
Complexity138.0
SMILESCC(C)/C=C(/C(=O)O)\N
InChIKeyTYAFIFFKPSWZRM-HYXAFXHYSA-N

Chemical Property Profile of Dehydroleucine

XLogP
0.9
TPSA (Topological Polar Surface Area)
63.3
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
Rotatable Bonds
2
Heavy Atoms
9
Complexity
138.0
Exact Mass
129.07898
Monoisotopic Mass
129.07898
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 Dehydroleucine

The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydroleucine. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydroleucine. Following Lipinski's Rule of Five, Dehydroleucine 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 Dehydroleucine?

The CAS number of Dehydroleucine is 113586-23-5.

What is the molecular formula of Dehydroleucine?

The molecular formula of Dehydroleucine is C6H11NO2.

What is the molecular weight of Dehydroleucine?

The molecular weight of Dehydroleucine is 129.07898 g/mol.

Where can I buy Dehydroleucine?

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

Does CoreyChem offer custom synthesis for Dehydroleucine?

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

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