2-PyrrolIdin-1-ylmethylbenzoic acid
TL;DR: 2-PyrrolIdin-1-ylmethylbenzoic acid (CAS 876717-98-5) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyrrolidin-1-ylmethyl)benzoic acid
Also Known As: 2-PyrrolIdin-1-ylmethylbenzoic acid, AKOS BB-9394, 2-(pyrrolidin-1-ylmethyl)benzoic Acid, 2-Pyrrolidin-1-ylmethyl-benzoic acid, 2-(pyrrolidinylmethyl)benzoic acid
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 1.9806 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 356.39468 |
Chemical Identifiers
| CAS Number | 876717-98-5 |
|---|---|
| SMILES | C1CCN(C1)CC2=CC=CC=C2C(=O)O |
Product Overview
2-PyrrolIdin-1-ylmethylbenzoic acid (CAS 876717-98-5), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 2-(pyrrolidin-1-ylmethyl)benzoic acid.
Chemical Property Profile of 2-PyrrolIdin-1-ylmethylbenzoic acid
Property Insights of 2-PyrrolIdin-1-ylmethylbenzoic acid
The XLogP value of 1.9806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-PyrrolIdin-1-ylmethylbenzoic acid. With a topological polar surface area (TPSA) of 40.54 Ų, 2-PyrrolIdin-1-ylmethylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-PyrrolIdin-1-ylmethylbenzoic acid has 1 hydrogen bond donor(s) and 2 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 2-PyrrolIdin-1-ylmethylbenzoic acid?
The CAS number of 2-PyrrolIdin-1-ylmethylbenzoic acid is 876717-98-5.
What is the molecular formula of 2-PyrrolIdin-1-ylmethylbenzoic acid?
The molecular formula of 2-PyrrolIdin-1-ylmethylbenzoic acid is C12H15NO2.
What is the molecular weight of 2-PyrrolIdin-1-ylmethylbenzoic acid?
The molecular weight of 2-PyrrolIdin-1-ylmethylbenzoic acid is 205.11 g/mol.
Where can I buy 2-PyrrolIdin-1-ylmethylbenzoic acid?
You can request a quote for 2-PyrrolIdin-1-ylmethylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-PyrrolIdin-1-ylmethylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-PyrrolIdin-1-ylmethylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.