1-(2,5-二甲氧基苯基)吡咯-2-甲酸
TL;DR: 1-(2,5-二甲氧基苯基)吡咯-2-甲酸 (CAS 39843-63-5) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-二甲氧基苯基)吡咯-2-甲酸
1-(2,5-dimethoxyphenyl)pyrrole-2-carboxylic acid
Also Known As: 1-(2,5-dimethoxyphenyl)pyrrole-2-carboxylic acid, 1-(2,5-dimethoxyphenyl)-1H-pyrrole-2-carboxylic acid
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 39843-63-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C=CC=C2C(=O)O |
| InChIKey | GGALCPPUQFWUST-UHFFFAOYSA-N |
Product Overview
1-(2,5-二甲氧基苯基)吡咯-2-甲酸 (CAS 39843-63-5), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: 1-(2,5-dimethoxyphenyl)pyrrole-2-carboxylic acid.
Chemical Property Profile of 1-(2,5-二甲氧基苯基)吡咯-2-甲酸
Property Insights of 1-(2,5-二甲氧基苯基)吡咯-2-甲酸
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,5-二甲氧基苯基)吡咯-2-甲酸. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,5-二甲氧基苯基)吡咯-2-甲酸. Following Lipinski's Rule of Five, 1-(2,5-二甲氧基苯基)吡咯-2-甲酸 has 1 hydrogen bond donor(s) and 4 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-(2,5-二甲氧基苯基)吡咯-2-甲酸?
The CAS number of 1-(2,5-二甲氧基苯基)吡咯-2-甲酸 is 39843-63-5.
What is the molecular formula of 1-(2,5-二甲氧基苯基)吡咯-2-甲酸?
The molecular formula of 1-(2,5-二甲氧基苯基)吡咯-2-甲酸 is C13H13NO4.
What is the molecular weight of 1-(2,5-二甲氧基苯基)吡咯-2-甲酸?
The molecular weight of 1-(2,5-二甲氧基苯基)吡咯-2-甲酸 is 247.08 g/mol.
Where can I buy 1-(2,5-二甲氧基苯基)吡咯-2-甲酸?
You can request a quote for 1-(2,5-二甲氧基苯基)吡咯-2-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,5-二甲氧基苯基)吡咯-2-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,5-二甲氧基苯基)吡咯-2-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.