Benzeneacetic acid, alpha-methyl-3-(phenylmethyl)-, (S)-
TL;DR: Benzeneacetic acid, alpha-methyl-3-(phenylmethyl)-, (S)- (CAS 22161-82-6) is a chemical compound with molecular formula C16H16O2 and molecular weight 240.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(3-benzylphenyl)propanoic acid
Also Known As: 2-(3-benzylphenyl)propanoic Acid, (2S)-2-(3-benzylphenyl)propanoic acid, Benzeneacetic acid, alpha-methyl-3-(phenylmethyl)-, (S)-, Benzeneacetic acid, I+/--methyl-3-(phenylmethyl)-, (S)-, RefChem:324293
| Molecular Formula | C16H16O2 |
|---|---|
| Molecular Weight | 240.12 g/mol |
| LogP | 3.4655 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.11504 |
| Heavy Atoms | 18 |
| Complexity | 531.80304 |
Chemical Identifiers
| CAS Number | 22161-82-6 |
|---|---|
| SMILES | C[C@@H](C1=CC=CC(=C1)CC2=CC=CC=C2)C(=O)O |
Product Overview
Benzeneacetic acid, alpha-methyl-3-(phenylmethyl)-, (S)- (CAS 22161-82-6), with molecular formula C16H16O2 and molecular weight 240.12 g/mol. IUPAC: (2S)-2-(3-benzylphenyl)propanoic acid.
Chemical Property Profile of Benzeneacetic acid, alpha-methyl-3-(phenylmethyl)-, (S)-
Property Insights of Benzeneacetic acid, alpha-methyl-3-(phenylmethyl)-, (S)-
The XLogP value of 3.4655 indicates that Benzeneacetic acid, alpha-methyl-3-(phenylmethyl)-, (S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Benzeneacetic acid, alpha-methyl-3-(phenylmethyl)-, (S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-methyl-3-(phenylmethyl)-, (S)- has 1 hydrogen bond donor(s) and 1 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 Benzeneacetic acid, alpha-methyl-3-(phenylmethyl)-, (S)-?
The CAS number of Benzeneacetic acid, alpha-methyl-3-(phenylmethyl)-, (S)- is 22161-82-6.
What is the molecular formula of Benzeneacetic acid, alpha-methyl-3-(phenylmethyl)-, (S)-?
The molecular formula of Benzeneacetic acid, alpha-methyl-3-(phenylmethyl)-, (S)- is C16H16O2.
What is the molecular weight of Benzeneacetic acid, alpha-methyl-3-(phenylmethyl)-, (S)-?
The molecular weight of Benzeneacetic acid, alpha-methyl-3-(phenylmethyl)-, (S)- is 240.12 g/mol.
Where can I buy Benzeneacetic acid, alpha-methyl-3-(phenylmethyl)-, (S)-?
You can request a quote for Benzeneacetic acid, alpha-methyl-3-(phenylmethyl)-, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha-methyl-3-(phenylmethyl)-, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-methyl-3-(phenylmethyl)-, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.