1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-(3-methylbutoxy)phenyl)-
TL;DR: 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-(3-methylbutoxy)phenyl)- (CAS 42780-15-4) is a chemical compound with molecular formula C19H25NO3 and molecular weight 315.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,5-dimethyl-1-[4-(3-methylbutoxy)phenyl]pyrrol-3-yl]acetic acid
Also Known As: 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-(3-methylbutoxy)phenyl)-, 2,5-Dimethyl-1-(4-(3-methylbutoxy)phenyl)-1H-pyrrole-3-acetic acid, {2,5-dimethyl-1-[4-(3-methylbutoxy)phenyl]-1H-pyrrol-3-yl}acetic acid, 2-[2,5-dimethyl-1-[4-(3-methylbutoxy)phenyl]pyrrol-3-yl]acetic acid, BRN 0428918
| Molecular Formula | C19H25NO3 |
|---|---|
| Molecular Weight | 315.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.18344 |
| Heavy Atoms | 23 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 42780-15-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)OCCC(C)C)C)CC(=O)O |
| InChIKey | YXZHLIXFFCRSIZ-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-(3-methylbutoxy)phenyl)- (CAS 42780-15-4), with molecular formula C19H25NO3 and molecular weight 315.18 g/mol. IUPAC: 2-[2,5-dimethyl-1-[4-(3-methylbutoxy)phenyl]pyrrol-3-yl]acetic acid.
Chemical Property Profile of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-(3-methylbutoxy)phenyl)-
Property Insights of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-(3-methylbutoxy)phenyl)-
The XLogP value of 4.2 indicates that 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-(3-methylbutoxy)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.5 Ų, 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-(3-methylbutoxy)phenyl)- 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-(4-(3-methylbutoxy)phenyl)- 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 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-(3-methylbutoxy)phenyl)-?
The CAS number of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-(3-methylbutoxy)phenyl)- is 42780-15-4.
What is the molecular formula of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-(3-methylbutoxy)phenyl)-?
The molecular formula of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-(3-methylbutoxy)phenyl)- is C19H25NO3.
What is the molecular weight of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-(3-methylbutoxy)phenyl)-?
The molecular weight of 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-(3-methylbutoxy)phenyl)- is 315.18 g/mol.
Where can I buy 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-(3-methylbutoxy)phenyl)-?
You can request a quote for 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-(3-methylbutoxy)phenyl)- 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-(4-(3-methylbutoxy)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-(3-methylbutoxy)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.