1,2-二甲基-5-苯基-1H-吡咯-3-乙酸
TL;DR: 1,2-二甲基-5-苯基-1H-吡咯-3-乙酸 (CAS 42780-41-6) is a chemical compound with molecular formula C14H15NO2 and molecular weight 229.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-二甲基-5-苯基-1H-吡咯-3-乙酸
2-(1,2-dimethyl-5-phenylpyrrol-3-yl)acetic acid
Also Known As: 2- aceticacid, 1H-Pyrrole-3-acetic acid, 1,2-dimethyl-5-phenyl-, 1,2-Dimethyl-5-phenyl-1H-pyrrole-3-acetic acid, 5-22-03-00278 (Beilstein Handbook Reference), 2-(1,2-dimethyl-5-phenylpyrrol-3-yl)acetic acid
| Molecular Formula | C14H15NO2 |
|---|---|
| Molecular Weight | 229.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.11028 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 42780-41-6 |
|---|---|
| SMILES | CC1=C(C=C(N1C)C2=CC=CC=C2)CC(=O)O |
| InChIKey | YWPRKCLPTAUMNB-UHFFFAOYSA-N |
Product Overview
1,2-二甲基-5-苯基-1H-吡咯-3-乙酸 (CAS 42780-41-6), with molecular formula C14H15NO2 and molecular weight 229.11 g/mol. IUPAC: 2-(1,2-dimethyl-5-phenylpyrrol-3-yl)acetic acid.
Chemical Property Profile of 1,2-二甲基-5-苯基-1H-吡咯-3-乙酸
Property Insights of 1,2-二甲基-5-苯基-1H-吡咯-3-乙酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-二甲基-5-苯基-1H-吡咯-3-乙酸. With a topological polar surface area (TPSA) of 42.2 Ų, 1,2-二甲基-5-苯基-1H-吡咯-3-乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-二甲基-5-苯基-1H-吡咯-3-乙酸 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 1,2-二甲基-5-苯基-1H-吡咯-3-乙酸?
The CAS number of 1,2-二甲基-5-苯基-1H-吡咯-3-乙酸 is 42780-41-6.
What is the molecular formula of 1,2-二甲基-5-苯基-1H-吡咯-3-乙酸?
The molecular formula of 1,2-二甲基-5-苯基-1H-吡咯-3-乙酸 is C14H15NO2.
What is the molecular weight of 1,2-二甲基-5-苯基-1H-吡咯-3-乙酸?
The molecular weight of 1,2-二甲基-5-苯基-1H-吡咯-3-乙酸 is 229.11 g/mol.
Where can I buy 1,2-二甲基-5-苯基-1H-吡咯-3-乙酸?
You can request a quote for 1,2-二甲基-5-苯基-1H-吡咯-3-乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-二甲基-5-苯基-1H-吡咯-3-乙酸?
Yes, KEHONG BIO provides custom synthesis services for 1,2-二甲基-5-苯基-1H-吡咯-3-乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.