NCIOpen2_002084
TL;DR: NCIOpen2_002084 (CAS 4290-71-5) is a chemical compound with molecular formula C20H32N2 and molecular weight 300.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(2,2-dimethyl-4-propan-2-ylidene-3H-pyrrol-5-yl)ethyl]-2,2-dimethyl-4-propan-2-ylidene-3H-pyrrole
Also Known As: NCIOpen2_002084, 5-(2-(2,2-Dimethyl-4-(1-methylethylidene)-3,4-dihydro-2H-pyrrol-5-yl)ethyl)-2,2-dimethyl-4-(1-methylethylidene)-3,4-dihydro-2H-pyrrole, 2,2'-Ethylenebis(3-isopropylidene-5,5-dimethyl-1-pyrroline, 5-[2-(2,2-dimethyl-4-propan-2-ylidene-3H-pyrrol-5-yl)ethyl]-, 5-[2-(2,2-dimethyl-4-propan-2-ylidene-3H-pyrrol-5-yl)ethyl]-2,2-dimethyl-4-propan-2-ylidene-3H-pyrrole
| Molecular Formula | C20H32N2 |
|---|---|
| Molecular Weight | 300.26 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.25656 |
| Heavy Atoms | 22 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 4290-71-5 |
|---|---|
| SMILES | CC(=C1CC(N=C1CCC2=NC(CC2=C(C)C)(C)C)(C)C)C |
| InChIKey | FFRUIXIVUJHQAN-UHFFFAOYSA-N |
Product Overview
NCIOpen2_002084 (CAS 4290-71-5), with molecular formula C20H32N2 and molecular weight 300.26 g/mol. IUPAC: 5-[2-(2,2-dimethyl-4-propan-2-ylidene-3H-pyrrol-5-yl)ethyl]-2,2-dimethyl-4-propan-2-ylidene-3H-pyrrole.
Chemical Property Profile of NCIOpen2_002084
Property Insights of NCIOpen2_002084
The XLogP value of 3.7 indicates that NCIOpen2_002084 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.7 Ų, NCIOpen2_002084 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_002084 has 0 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 NCIOpen2_002084?
The CAS number of NCIOpen2_002084 is 4290-71-5.
What is the molecular formula of NCIOpen2_002084?
The molecular formula of NCIOpen2_002084 is C20H32N2.
What is the molecular weight of NCIOpen2_002084?
The molecular weight of NCIOpen2_002084 is 300.26 g/mol.
Where can I buy NCIOpen2_002084?
You can request a quote for NCIOpen2_002084 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_002084?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_002084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.