trans-1-Benzyl-4-methoxy-pyrrolidine-3-carboxylic acid
TL;DR: trans-1-Benzyl-4-methoxy-pyrrolidine-3-carboxylic acid (CAS 2166098-39-9) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-1-benzyl-4-methoxypyrrolidine-3-carboxylic acid
Also Known As: 2-((DIFLUOROMETHOXY)METHYL)PYRROLIDINE, trans-1-benzyl-4-methoxy-pyrrolidine-3-carboxylic acid, (3S,4R)-1-benzyl-4-methoxypyrrolidine-3-carboxylic acid, Rel-(3S,4R)-1-benzyl-4-methoxypyrrolidine-3-carboxylic acid
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 1.218 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 379.51077 |
Chemical Identifiers
| CAS Number | 2166098-39-9 |
|---|---|
| SMILES | CO[C@H]1CN(C[C@@H]1C(=O)O)CC2=CC=CC=C2 |
Product Overview
trans-1-Benzyl-4-methoxy-pyrrolidine-3-carboxylic acid (CAS 2166098-39-9), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: (3S,4R)-1-benzyl-4-methoxypyrrolidine-3-carboxylic acid.
Chemical Property Profile of trans-1-Benzyl-4-methoxy-pyrrolidine-3-carboxylic acid
Property Insights of trans-1-Benzyl-4-methoxy-pyrrolidine-3-carboxylic acid
The XLogP value of 1.218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-1-Benzyl-4-methoxy-pyrrolidine-3-carboxylic acid. With a topological polar surface area (TPSA) of 49.77 Ų, trans-1-Benzyl-4-methoxy-pyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-1-Benzyl-4-methoxy-pyrrolidine-3-carboxylic acid 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
Frequently Asked Questions
What is the CAS number of trans-1-Benzyl-4-methoxy-pyrrolidine-3-carboxylic acid?
The CAS number of trans-1-Benzyl-4-methoxy-pyrrolidine-3-carboxylic acid is 2166098-39-9.
What is the molecular formula of trans-1-Benzyl-4-methoxy-pyrrolidine-3-carboxylic acid?
The molecular formula of trans-1-Benzyl-4-methoxy-pyrrolidine-3-carboxylic acid is C13H17NO3.
What is the molecular weight of trans-1-Benzyl-4-methoxy-pyrrolidine-3-carboxylic acid?
The molecular weight of trans-1-Benzyl-4-methoxy-pyrrolidine-3-carboxylic acid is 235.12 g/mol.
Where can I buy trans-1-Benzyl-4-methoxy-pyrrolidine-3-carboxylic acid?
You can request a quote for trans-1-Benzyl-4-methoxy-pyrrolidine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-1-Benzyl-4-methoxy-pyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for trans-1-Benzyl-4-methoxy-pyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.