2-chloro-5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
TL;DR: 2-chloro-5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 428495-29-8) is a chemical compound with molecular formula C14H12ClNO3 and molecular weight 277.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-(3-formyl-2,5-dimethylpyrrol-1-yl)benzoic acid
Also Known As: 2-chloro-5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, starbld0014133, 2-chloro-5-(3-formyl-2,5-dimethylpyrrol-1-yl)benzoic acid, AH-487/15276717, 2-chloro-5-(3-formyl-2,5-dimethyl-pyrrol-1-yl)benzoic acid
| Molecular Formula | C14H12ClNO3 |
|---|---|
| Molecular Weight | 277.05 g/mol |
| LogP | 3.25824 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.05057 |
| Heavy Atoms | 19 |
| Complexity | 673.57086 |
Chemical Identifiers
| CAS Number | 428495-29-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)O)C)C=O |
Product Overview
2-chloro-5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 428495-29-8), with molecular formula C14H12ClNO3 and molecular weight 277.05 g/mol. IUPAC: 2-chloro-5-(3-formyl-2,5-dimethylpyrrol-1-yl)benzoic acid.
Chemical Property Profile of 2-chloro-5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Property Insights of 2-chloro-5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
The XLogP value of 3.25824 indicates that 2-chloro-5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, 2-chloro-5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic 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 2-chloro-5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The CAS number of 2-chloro-5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is 428495-29-8.
What is the molecular formula of 2-chloro-5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The molecular formula of 2-chloro-5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is C14H12ClNO3.
What is the molecular weight of 2-chloro-5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
The molecular weight of 2-chloro-5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid is 277.05 g/mol.
Where can I buy 2-chloro-5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
You can request a quote for 2-chloro-5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-5-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.