4,5-dibromo-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide
TL;DR: 4,5-dibromo-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide (CAS 861208-06-2) is a chemical compound with molecular formula C11H9Br2N3O and molecular weight 356.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dibromo-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
Also Known As: 4,5-dibromo-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide, 4,5-dibromo-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide, 1Y-0242, 4,5-dibromo-N-[(pyridin-4-yl)methyl]-1H-pyrrole-2-carboxamide
| Molecular Formula | C11H9Br2N3O |
|---|---|
| Molecular Weight | 356.91 g/mol |
| LogP | 2.8647 |
| Topological Polar Surface Area | 57.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.91125 |
| Heavy Atoms | 17 |
| Complexity | 505.26773 |
Chemical Identifiers
| CAS Number | 861208-06-2 |
|---|---|
| SMILES | C1=CN=CC=C1CNC(=O)C2=CC(=C(N2)Br)Br |
Product Overview
4,5-dibromo-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide (CAS 861208-06-2), with molecular formula C11H9Br2N3O and molecular weight 356.91 g/mol. IUPAC: 4,5-dibromo-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide.
Chemical Property Profile of 4,5-dibromo-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide
Property Insights of 4,5-dibromo-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide
The XLogP value of 2.8647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-dibromo-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide. With a topological polar surface area (TPSA) of 57.78 Ų, 4,5-dibromo-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-dibromo-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide has 2 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 4,5-dibromo-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide?
The CAS number of 4,5-dibromo-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide is 861208-06-2.
What is the molecular formula of 4,5-dibromo-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide?
The molecular formula of 4,5-dibromo-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide is C11H9Br2N3O.
What is the molecular weight of 4,5-dibromo-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide?
The molecular weight of 4,5-dibromo-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide is 356.91 g/mol.
Where can I buy 4,5-dibromo-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide?
You can request a quote for 4,5-dibromo-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-dibromo-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4,5-dibromo-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.