(3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate
TL;DR: (3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate (CAS 867299-05-6) is a chemical compound with molecular formula C12H9Cl2NO2 and molecular weight 269.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate
Also Known As: (3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate
| Molecular Formula | C12H9Cl2NO2 |
|---|---|
| Molecular Weight | 269.00 g/mol |
| LogP | 3.6785 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.00104 |
| Heavy Atoms | 17 |
| Complexity | 523.3068 |
Chemical Identifiers
| CAS Number | 867299-05-6 |
|---|---|
| SMILES | C1=CNC(=C1)C(=O)OCC2=CC(=C(C=C2)Cl)Cl |
Product Overview
(3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate (CAS 867299-05-6), with molecular formula C12H9Cl2NO2 and molecular weight 269.00 g/mol. IUPAC: (3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate.
Chemical Property Profile of (3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate
Property Insights of (3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate
The XLogP value of 3.6785 indicates that (3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.09 Ų, (3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate 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 (3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate?
The CAS number of (3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate is 867299-05-6.
What is the molecular formula of (3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate?
The molecular formula of (3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate is C12H9Cl2NO2.
What is the molecular weight of (3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate?
The molecular weight of (3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate is 269.00 g/mol.
Where can I buy (3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate?
You can request a quote for (3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.