3-Methylphenyl-D-alanine
TL;DR: 3-Methylphenyl-D-alanine (CAS 103678-24-6) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-methylanilino)propanoic acid
Also Known As: m-Tolylalanine, Not Available, 3-Methylphenyl-D-alanine, m-Tolyl-DL-alanine, 3-Methylphenyl-L-alanine
Technical Specifications
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.09464 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.09464 Da |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
| SMILES | CC1=CC(=CC=C1)NC(C)C(=O)O |
| InChIKey | ODJHRFGRRIRPJD-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methylphenyl-D-alanine
Property Insights of 3-Methylphenyl-D-alanine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylphenyl-D-alanine. With a topological polar surface area (TPSA) of 49.3 Ų, 3-Methylphenyl-D-alanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylphenyl-D-alanine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Methylphenyl-D-alanine?
The CAS number of 3-Methylphenyl-D-alanine is 103678-24-6.
What is the molecular formula of 3-Methylphenyl-D-alanine?
The molecular formula of 3-Methylphenyl-D-alanine is C10H13NO2.
What is the molecular weight of 3-Methylphenyl-D-alanine?
The molecular weight of 3-Methylphenyl-D-alanine is 179.09464 g/mol.
Where can I buy 3-Methylphenyl-D-alanine?
You can request a quote for 3-Methylphenyl-D-alanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methylphenyl-D-alanine?
Yes, CoreyChem provides custom synthesis services for 3-Methylphenyl-D-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.