3-methyl-4-phenylmethoxy-butanoic Acid
TL;DR: 3-methyl-4-phenylmethoxy-butanoic Acid (CAS 64190-49-4) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-methyl-4-phenylmethoxybutanoic acid
Also Known As: 3-methyl-4-phenylmethoxy-butanoic Acid, (3S)-4-(benzyloxy)-3-methylbutanoic acid, (3S)-4-benzyloxy-3-methylbutyric acid, (S)-3-Methyl-4-(benzyloxy)butyric acid, (S)-4-(Benzyloxy)-3-methylbutanoic acid
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.314 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 294.99536 |
Chemical Identifiers
| CAS Number | 64190-49-4 |
|---|---|
| SMILES | C[C@@H](CC(=O)O)COCC1=CC=CC=C1 |
Product Overview
3-methyl-4-phenylmethoxy-butanoic Acid (CAS 64190-49-4), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: (3S)-3-methyl-4-phenylmethoxybutanoic acid.
Chemical Property Profile of 3-methyl-4-phenylmethoxy-butanoic Acid
Property Insights of 3-methyl-4-phenylmethoxy-butanoic Acid
The XLogP value of 2.314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-4-phenylmethoxy-butanoic Acid. With a topological polar surface area (TPSA) of 46.53 Ų, 3-methyl-4-phenylmethoxy-butanoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-4-phenylmethoxy-butanoic Acid has 1 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 3-methyl-4-phenylmethoxy-butanoic Acid?
The CAS number of 3-methyl-4-phenylmethoxy-butanoic Acid is 64190-49-4.
What is the molecular formula of 3-methyl-4-phenylmethoxy-butanoic Acid?
The molecular formula of 3-methyl-4-phenylmethoxy-butanoic Acid is C12H16O3.
What is the molecular weight of 3-methyl-4-phenylmethoxy-butanoic Acid?
The molecular weight of 3-methyl-4-phenylmethoxy-butanoic Acid is 208.11 g/mol.
Where can I buy 3-methyl-4-phenylmethoxy-butanoic Acid?
You can request a quote for 3-methyl-4-phenylmethoxy-butanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-4-phenylmethoxy-butanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-phenylmethoxy-butanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.