![N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide structure](/static/products/4100/41004-16-4.webp)
N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
TL;DR: N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide (CAS 41004-16-4) is a chemical compound with molecular formula C13H15Br2N5O2 and molecular weight 430.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
Also Known As: N-Acetyl dihydrooroidin, OROIDIN, N-ACETYL, N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide, N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-py
| Molecular Formula | C13H15Br2N5O2 |
|---|---|
| Molecular Weight | 430.96 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.95926 |
| Heavy Atoms | 22 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 41004-16-4 |
|---|---|
| SMILES | CC(=O)NC1=NC=C(N1)CCCNC(=O)C2=CC(=C(N2)Br)Br |
| InChIKey | MMEYHQVGVOMYSW-UHFFFAOYSA-N |
Product Overview
N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide (CAS 41004-16-4), with molecular formula C13H15Br2N5O2 and molecular weight 430.96 g/mol. IUPAC: N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide.
Chemical Property Profile of N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
Property Insights of N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide. Following Lipinski's Rule of Five, N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide has 4 hydrogen bond donor(s) and 3 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 N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide?
The CAS number of N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide is 41004-16-4.
What is the molecular formula of N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide?
The molecular formula of N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide is C13H15Br2N5O2.
What is the molecular weight of N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide?
The molecular weight of N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide is 430.96 g/mol.
Where can I buy N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide?
You can request a quote for N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-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 N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.