Isoprendibromid
TL;DR: Isoprendibromid (CAS 64252-04-6) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-(2-nitroprop-1-enyl)-1H-indole
Also Known As: Isoprendibromid, 2-methyl-3-(2-nitroprop-1-enyl)-1H-indole, 2-methyl-3-(2'-methyl-2'-nitrovinyl)indole, 2-Methyl-3-(2-nitroprop-1-en-1-yl)-1H-indole, 1H-Indole, 2-methyl-3-[(1E)-2-nitro-1-propenyl]-
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 3.11382 |
| Topological Polar Surface Area | 58.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 581.7163 |
Chemical Identifiers
| CAS Number | 64252-04-6 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C=C(C)[N+](=O)[O-] |
Product Overview
Isoprendibromid (CAS 64252-04-6), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 2-methyl-3-(2-nitroprop-1-enyl)-1H-indole.
Chemical Property Profile of Isoprendibromid
Property Insights of Isoprendibromid
The XLogP value of 3.11382 indicates that Isoprendibromid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.93 Ų, Isoprendibromid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoprendibromid 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 Isoprendibromid?
The CAS number of Isoprendibromid is 64252-04-6.
What is the molecular formula of Isoprendibromid?
The molecular formula of Isoprendibromid is C12H12N2O2.
What is the molecular weight of Isoprendibromid?
The molecular weight of Isoprendibromid is 216.09 g/mol.
Where can I buy Isoprendibromid?
You can request a quote for Isoprendibromid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoprendibromid?
Yes, KEHONG BIO provides custom synthesis services for Isoprendibromid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.