D-Alloisoleucine, methyl ester
TL;DR: D-Alloisoleucine, methyl ester (CAS 118878-53-8) is a chemical compound with molecular formula C7H15NO2 and molecular weight 145.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2R,3S)-2-amino-3-methylpentanoate
Also Known As: methyl D-alloisoleucinate, Methyl L-isoleucinate, methyl (2R,3S)-2-amino-3-methylpentanoate, D-Alloisoleucine methyl ester, D-Alloisoleucine, methyl ester
Technical Specifications
| Molecular Formula | C7H15NO2 |
| Molecular Weight | 145.11028 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 145.11028 Da |
| Heavy Atoms | 10 |
| Complexity | 114.0 |
| SMILES | CC[C@H](C)[C@H](C(=O)OC)N |
| InChIKey | YXMMTUJDQTVJEN-NTSWFWBYSA-N |
Chemical Property Profile of D-Alloisoleucine, methyl ester
Property Insights of D-Alloisoleucine, methyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D-Alloisoleucine, methyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, D-Alloisoleucine, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, D-Alloisoleucine, methyl ester has 1 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 D-Alloisoleucine, methyl ester?
The CAS number of D-Alloisoleucine, methyl ester is 118878-53-8.
What is the molecular formula of D-Alloisoleucine, methyl ester?
The molecular formula of D-Alloisoleucine, methyl ester is C7H15NO2.
What is the molecular weight of D-Alloisoleucine, methyl ester?
The molecular weight of D-Alloisoleucine, methyl ester is 145.11028 g/mol.
Where can I buy D-Alloisoleucine, methyl ester?
You can request a quote for D-Alloisoleucine, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for D-Alloisoleucine, methyl ester?
Yes, CoreyChem provides custom synthesis services for D-Alloisoleucine, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.