(2R,3S)-2-methyl-3-phenylpentanedioic acid
TL;DR: (2R,3S)-2-methyl-3-phenylpentanedioic acid (CAS 100786-67-2) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S)-2-methyl-3-phenylpentanedioic acid
Also Known As: 2-methyl-3-phenylpentanedioic acid, (2R,3S)-2-methyl-3-phenylpentanedioic acid, (2R,3S)-2-methyl-3-phenyl-pentanedioic Acid, Pentanedioic acid, 2-methyl-3-phenyl-, (R*,S*)-, Pentanedioic acid, 2-methyl-3-phenyl-, (R*,S*)- (9CI)
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 100786-67-2 |
|---|---|
| SMILES | C[C@H]([C@H](CC(=O)O)C1=CC=CC=C1)C(=O)O |
| InChIKey | RSUWYAPAJXVXAU-SCZZXKLOSA-N |
Product Overview
(2R,3S)-2-methyl-3-phenylpentanedioic acid (CAS 100786-67-2), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: (2R,3S)-2-methyl-3-phenylpentanedioic acid.
Chemical Property Profile of (2R,3S)-2-methyl-3-phenylpentanedioic acid
Property Insights of (2R,3S)-2-methyl-3-phenylpentanedioic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R,3S)-2-methyl-3-phenylpentanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,3S)-2-methyl-3-phenylpentanedioic acid. Following Lipinski's Rule of Five, (2R,3S)-2-methyl-3-phenylpentanedioic acid has 2 hydrogen bond donor(s) and 4 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 (2R,3S)-2-methyl-3-phenylpentanedioic acid?
The CAS number of (2R,3S)-2-methyl-3-phenylpentanedioic acid is 100786-67-2.
What is the molecular formula of (2R,3S)-2-methyl-3-phenylpentanedioic acid?
The molecular formula of (2R,3S)-2-methyl-3-phenylpentanedioic acid is C12H14O4.
What is the molecular weight of (2R,3S)-2-methyl-3-phenylpentanedioic acid?
The molecular weight of (2R,3S)-2-methyl-3-phenylpentanedioic acid is 222.09 g/mol.
Where can I buy (2R,3S)-2-methyl-3-phenylpentanedioic acid?
You can request a quote for (2R,3S)-2-methyl-3-phenylpentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,3S)-2-methyl-3-phenylpentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for (2R,3S)-2-methyl-3-phenylpentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.