![3-[4-(benzyloxy)phenyl]-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid structure](/static/products/861/861207-99-0.png)
3-[4-(benzyloxy)phenyl]-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid
TL;DR: 3-[4-(benzyloxy)phenyl]-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid (CAS 861207-99-0) is a chemical compound with molecular formula C22H23NO3 and molecular weight 349.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethylpyrrol-1-yl)-3-(4-phenylmethoxyphenyl)propanoic acid
Also Known As: 3-[4-(benzyloxy)phenyl]-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid, 3-(2,5-dimethylpyrrol-1-yl)-3-(4-phenylmethoxyphenyl)propanoic Acid, 1X-0905, 2,5-Dimethyl-I(2)-[4-(phenylmethoxy)phenyl]-1H-pyrrole-1-propanoic acid
| Molecular Formula | C22H23NO3 |
|---|---|
| Molecular Weight | 349.17 g/mol |
| LogP | 4.74804 |
| Topological Polar Surface Area | 51.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.1678 |
| Heavy Atoms | 26 |
| Complexity | 846.66284 |
Chemical Identifiers
| CAS Number | 861207-99-0 |
|---|---|
| SMILES | CC1=CC=C(N1C(CC(=O)O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C |
Product Overview
3-[4-(benzyloxy)phenyl]-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid (CAS 861207-99-0), with molecular formula C22H23NO3 and molecular weight 349.17 g/mol. IUPAC: 3-(2,5-dimethylpyrrol-1-yl)-3-(4-phenylmethoxyphenyl)propanoic acid.
Chemical Property Profile of 3-[4-(benzyloxy)phenyl]-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid
Property Insights of 3-[4-(benzyloxy)phenyl]-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid
The XLogP value of 4.74804 indicates that 3-[4-(benzyloxy)phenyl]-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.46 Ų, 3-[4-(benzyloxy)phenyl]-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(benzyloxy)phenyl]-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic 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 3-[4-(benzyloxy)phenyl]-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid?
The CAS number of 3-[4-(benzyloxy)phenyl]-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid is 861207-99-0.
What is the molecular formula of 3-[4-(benzyloxy)phenyl]-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid?
The molecular formula of 3-[4-(benzyloxy)phenyl]-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid is C22H23NO3.
What is the molecular weight of 3-[4-(benzyloxy)phenyl]-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid?
The molecular weight of 3-[4-(benzyloxy)phenyl]-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid is 349.17 g/mol.
Where can I buy 3-[4-(benzyloxy)phenyl]-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid?
You can request a quote for 3-[4-(benzyloxy)phenyl]-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(benzyloxy)phenyl]-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(benzyloxy)phenyl]-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.