Acetyldehydroleucine
TL;DR: Acetyldehydroleucine (CAS 64896-30-6) is a chemical compound with molecular formula C8H13NO3 and molecular weight 171.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-acetamido-4-methylpent-2-enoic acid
Also Known As: Acetyldehydroleucine, 2-acetamido-4-methylpent-2-enoic acid, (Z)-2-acetamido-4-methylpent-2-enoic acid, J1.849.127C, (Z)-2-(Acetylamino)-4-methyl-2-pentenoic acid
| Molecular Formula | C8H13NO3 |
|---|---|
| Molecular Weight | 171.09 g/mol |
| LogP | 0.747 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.08954 |
| Heavy Atoms | 12 |
| Complexity | 218.34286 |
Chemical Identifiers
| CAS Number | 64896-30-6 |
|---|---|
| SMILES | CC(C)/C=C(/C(=O)O)\NC(=O)C |
Product Overview
Acetyldehydroleucine (CAS 64896-30-6), with molecular formula C8H13NO3 and molecular weight 171.09 g/mol. IUPAC: (Z)-2-acetamido-4-methylpent-2-enoic acid.
Chemical Property Profile of Acetyldehydroleucine
Property Insights of Acetyldehydroleucine
The XLogP value of 0.747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyldehydroleucine. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetyldehydroleucine. Following Lipinski's Rule of Five, Acetyldehydroleucine has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetyldehydroleucine?
The CAS number of Acetyldehydroleucine is 64896-30-6.
What is the molecular formula of Acetyldehydroleucine?
The molecular formula of Acetyldehydroleucine is C8H13NO3.
What is the molecular weight of Acetyldehydroleucine?
The molecular weight of Acetyldehydroleucine is 171.09 g/mol.
Where can I buy Acetyldehydroleucine?
You can request a quote for Acetyldehydroleucine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyldehydroleucine?
Yes, KEHONG BIO provides custom synthesis services for Acetyldehydroleucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.