Trans Methyl O-benzyl-L-4-hydroxyproline
TL;DR: Trans Methyl O-benzyl-L-4-hydroxyproline (CAS 113490-76-9) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S,4R)-4-phenylmethoxypyrrolidine-2-carboxylate
Also Known As: Trans Methyl O-benzyl-L-4-hydroxyproline, (4R)-4-Benzyloxy-L-Proline methyl ester, methyl (2S,4R)-4-benzyloxypyrrolidine-2-carboxylate, Methyl (2S,4R)-4-phenylmethoxypyrrolidine-2-carboxylate, (2S,4R)-4-Benzyloxy-pyrrolidine-2-carboxylic acid methyl ester
Technical Specifications
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.12085 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.12085 Da |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
| SMILES | COC(=O)[C@@H]1C[C@H](CN1)OCC2=CC=CC=C2 |
| InChIKey | GYBYGFMCYASWNS-NEPJUHHUSA-N |
Chemical Property Profile of Trans Methyl O-benzyl-L-4-hydroxyproline
Property Insights of Trans Methyl O-benzyl-L-4-hydroxyproline
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trans Methyl O-benzyl-L-4-hydroxyproline. With a topological polar surface area (TPSA) of 47.6 Ų, Trans Methyl O-benzyl-L-4-hydroxyproline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trans Methyl O-benzyl-L-4-hydroxyproline has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Trans Methyl O-benzyl-L-4-hydroxyproline?
The CAS number of Trans Methyl O-benzyl-L-4-hydroxyproline is 113490-76-9.
What is the molecular formula of Trans Methyl O-benzyl-L-4-hydroxyproline?
The molecular formula of Trans Methyl O-benzyl-L-4-hydroxyproline is C13H17NO3.
What is the molecular weight of Trans Methyl O-benzyl-L-4-hydroxyproline?
The molecular weight of Trans Methyl O-benzyl-L-4-hydroxyproline is 235.12085 g/mol.
Where can I buy Trans Methyl O-benzyl-L-4-hydroxyproline?
You can request a quote for Trans Methyl O-benzyl-L-4-hydroxyproline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trans Methyl O-benzyl-L-4-hydroxyproline?
Yes, CoreyChem provides custom synthesis services for Trans Methyl O-benzyl-L-4-hydroxyproline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.