1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(diphenylmethyl)-
TL;DR: 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(diphenylmethyl)- (CAS 42780-21-2) is a chemical compound with molecular formula C21H21NO2 and molecular weight 319.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzhydryl-2,5-dimethylpyrrol-3-yl)acetic acid
Also Known As: 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(diphenylmethyl)-, 2,5-Dimethyl-1-(diphenylmethyl)-1H-pyrrole-3-acetic acid, 2-(1-benzhydryl-2,5-dimethylpyrrol-3-yl)acetic acid, [1-(Diphenylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetic acid, BRN 0428345
| Molecular Formula | C21H21NO2 |
|---|---|
| Molecular Weight | 319.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.15723 |
| Heavy Atoms | 24 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 42780-21-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C)CC(=O)O |
| InChIKey | KRVVGMPUBYDJRO-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(diphenylmethyl)- (CAS 42780-21-2), with molecular formula C21H21NO2 and molecular weight 319.16 g/mol. IUPAC: 2-(1-benzhydryl-2,5-dimethylpyrrol-3-yl)acetic acid.
Chemical Property Profile of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(diphenylmethyl)-
Property Insights of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(diphenylmethyl)-
The XLogP value of 4.2 indicates that 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(diphenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(diphenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(diphenylmethyl)- 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 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(diphenylmethyl)-?
The CAS number of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(diphenylmethyl)- is 42780-21-2.
What is the molecular formula of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(diphenylmethyl)-?
The molecular formula of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(diphenylmethyl)- is C21H21NO2.
What is the molecular weight of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(diphenylmethyl)-?
The molecular weight of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(diphenylmethyl)- is 319.16 g/mol.
Where can I buy 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(diphenylmethyl)-?
You can request a quote for 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(diphenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(diphenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(diphenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.