NCIStruc1_000326
TL;DR: NCIStruc1_000326 (CAS 6296-72-6) is a chemical compound with molecular formula C12H23N3 and molecular weight 209.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine
Also Known As: NCIStruc1_000326, NCIStruc2_000333, NCI60_001845, (2,5-Dimethyl-1H-pyrrole-3,4-diyl)bis(N,N-dimethylmethanamine), N-((4-((dimethylamino)methyl)-2,5-dimethyl-1H-pyrrol-3-yl)methyl)-N,N-dimethylamine
| Molecular Formula | C12H23N3 |
|---|---|
| Molecular Weight | 209.19 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 22.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.1892 |
| Heavy Atoms | 15 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 6296-72-6 |
|---|---|
| SMILES | CC1=C(C(=C(N1)C)CN(C)C)CN(C)C |
| InChIKey | IWCTUQVJGXUFIL-UHFFFAOYSA-N |
Product Overview
NCIStruc1_000326 (CAS 6296-72-6), with molecular formula C12H23N3 and molecular weight 209.19 g/mol. IUPAC: 1-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine.
Chemical Property Profile of NCIStruc1_000326
Property Insights of NCIStruc1_000326
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIStruc1_000326. With a topological polar surface area (TPSA) of 22.3 Ų, NCIStruc1_000326 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIStruc1_000326 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 NCIStruc1_000326?
The CAS number of NCIStruc1_000326 is 6296-72-6.
What is the molecular formula of NCIStruc1_000326?
The molecular formula of NCIStruc1_000326 is C12H23N3.
What is the molecular weight of NCIStruc1_000326?
The molecular weight of NCIStruc1_000326 is 209.19 g/mol.
Where can I buy NCIStruc1_000326?
You can request a quote for NCIStruc1_000326 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIStruc1_000326?
Yes, KEHONG BIO provides custom synthesis services for NCIStruc1_000326 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.