3-Hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid
TL;DR: 3-Hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid (CAS 124562-07-8) is a chemical compound with molecular formula C11H21NO3 and molecular weight 215.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,2S,3R)-3-hydroxy-4,4-dimethyl-2-(methylamino)oct-6-enoic acid
Also Known As: 3-HYDROXY-4,4-DIMETHYL-2-(METHYLAMINO)-6-OCTENOIC ACID, N-methyl-4-[(e)-2-butenyl]-4,4-dimethylthreonine, (2S,3R,6E)-4,4-dimethyl-3-hydroxy-2-(methylamino)-6-octenoic acid, (E,2S,3R)-3-hydroxy-4,4-dimethyl-2-(methylamino)oct-6-enoic acid, (2S,3R,6E)-3-hydroxy-4,4-dimethyl-2-(methylamino)oct-6-enoic acid
| Molecular Formula | C11H21NO3 |
|---|---|
| Molecular Weight | 215.15 g/mol |
| LogP | 1.0123 |
| Topological Polar Surface Area | 69.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 215.15215 |
| Heavy Atoms | 15 |
| Complexity | 235.98753 |
Chemical Identifiers
| CAS Number | 124562-07-8 |
|---|---|
| SMILES | C/C=C/CC(C)(C)[C@H]([C@@H](C(=O)O)NC)O |
Product Overview
3-Hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid (CAS 124562-07-8), with molecular formula C11H21NO3 and molecular weight 215.15 g/mol. IUPAC: (E,2S,3R)-3-hydroxy-4,4-dimethyl-2-(methylamino)oct-6-enoic acid.
Chemical Property Profile of 3-Hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid
Property Insights of 3-Hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid
The XLogP value of 1.0123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid. The TPSA of 69.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid. Following Lipinski's Rule of Five, 3-Hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid has 3 hydrogen bond donor(s) and 3 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 3-Hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid?
The CAS number of 3-Hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid is 124562-07-8.
What is the molecular formula of 3-Hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid?
The molecular formula of 3-Hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid is C11H21NO3.
What is the molecular weight of 3-Hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid?
The molecular weight of 3-Hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid is 215.15 g/mol.
Where can I buy 3-Hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid?
You can request a quote for 3-Hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-4,4-dimethyl-2-(methylamino)-6-octenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.