(3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
TL;DR: (3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid (CAS 1049980-13-3) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
Also Known As: (3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid, 980D133, rac-(3R,4S)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid, (3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid, (3R,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic Acid
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 1.0914 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 424.36743 |
Chemical Identifiers
| CAS Number | 1049980-13-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)[C@@H]2CNC[C@H]2C(=O)O)OC |
Product Overview
(3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid (CAS 1049980-13-3), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: (3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid.
Chemical Property Profile of (3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
Property Insights of (3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
The XLogP value of 1.0914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid. Following Lipinski's Rule of Five, (3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic 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 (3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid?
The CAS number of (3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid is 1049980-13-3.
What is the molecular formula of (3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid?
The molecular formula of (3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid is C13H17NO4.
What is the molecular weight of (3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid?
The molecular weight of (3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid is 251.12 g/mol.
Where can I buy (3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid?
You can request a quote for (3S,4R)-4-(3,5-dimethoxyphenyl)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 (3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.