1-(o-Fluorobenzyl)pyrrole-2-carboxaldehyde
TL;DR: 1-(o-Fluorobenzyl)pyrrole-2-carboxaldehyde (CAS 63880-57-9) is a chemical compound with molecular formula C12H10FNO and molecular weight 203.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-fluorophenyl)methyl]pyrrole-2-carbaldehyde
Also Known As: Oxirane,(4-nitrophenyl), 1-(o-fluorobenzyl)pyrrole-2-carboxaldehyde, 1-(2-Fluorobenzyl)-1H-pyrrole-2-carbaldehyde, 1-[(2-fluorophenyl)methyl]pyrrole-2-carbaldehyde, BAS 07340593
| Molecular Formula | C12H10FNO |
|---|---|
| Molecular Weight | 203.07 g/mol |
| LogP | 2.488 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.07465 |
| Heavy Atoms | 15 |
| Complexity | 475.97928 |
Chemical Identifiers
| CAS Number | 63880-57-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C=CC=C2C=O)F |
Product Overview
1-(o-Fluorobenzyl)pyrrole-2-carboxaldehyde (CAS 63880-57-9), with molecular formula C12H10FNO and molecular weight 203.07 g/mol. IUPAC: 1-[(2-fluorophenyl)methyl]pyrrole-2-carbaldehyde.
Chemical Property Profile of 1-(o-Fluorobenzyl)pyrrole-2-carboxaldehyde
Property Insights of 1-(o-Fluorobenzyl)pyrrole-2-carboxaldehyde
The XLogP value of 2.488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(o-Fluorobenzyl)pyrrole-2-carboxaldehyde. With a topological polar surface area (TPSA) of 22.0 Ų, 1-(o-Fluorobenzyl)pyrrole-2-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(o-Fluorobenzyl)pyrrole-2-carboxaldehyde has 0 hydrogen bond donor(s) and 1 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-(o-Fluorobenzyl)pyrrole-2-carboxaldehyde?
The CAS number of 1-(o-Fluorobenzyl)pyrrole-2-carboxaldehyde is 63880-57-9.
What is the molecular formula of 1-(o-Fluorobenzyl)pyrrole-2-carboxaldehyde?
The molecular formula of 1-(o-Fluorobenzyl)pyrrole-2-carboxaldehyde is C12H10FNO.
What is the molecular weight of 1-(o-Fluorobenzyl)pyrrole-2-carboxaldehyde?
The molecular weight of 1-(o-Fluorobenzyl)pyrrole-2-carboxaldehyde is 203.07 g/mol.
Where can I buy 1-(o-Fluorobenzyl)pyrrole-2-carboxaldehyde?
You can request a quote for 1-(o-Fluorobenzyl)pyrrole-2-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(o-Fluorobenzyl)pyrrole-2-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-(o-Fluorobenzyl)pyrrole-2-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.