AB00104839-01
TL;DR: AB00104839-01 (CAS 340303-35-7) is a chemical compound with molecular formula C17H20N6 and molecular weight 308.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]-N,N-dimethylaniline
Also Known As: AB00104839-01, 4-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]-N,N-dimethylaniline, N-[(E)-{1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene]-4H-1,2,4-triazol-4-amine, (E)-N-((1-(4-(dimethylamino)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-4H-1,2,4-triazol-4-amine, {4-[3-((1E)-2-(1,2,4-triazol-4-yl)-2-azavinyl)-2,5-dimethylpyrrolyl]phenyl}dim ethylamine
| Molecular Formula | C17H20N6 |
|---|---|
| Molecular Weight | 308.17 g/mol |
| LogP | 2.63384 |
| Topological Polar Surface Area | 51.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.17496 |
| Heavy Atoms | 23 |
| Complexity | 809.6481 |
Chemical Identifiers
| CAS Number | 340303-35-7 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)N(C)C)C)/C=N/N3C=NN=C3 |
Product Overview
AB00104839-01 (CAS 340303-35-7), with molecular formula C17H20N6 and molecular weight 308.17 g/mol. IUPAC: 4-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]-N,N-dimethylaniline.
Chemical Property Profile of AB00104839-01
Property Insights of AB00104839-01
The XLogP value of 2.63384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00104839-01. With a topological polar surface area (TPSA) of 51.24 Ų, AB00104839-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00104839-01 has 0 hydrogen bond donor(s) and 4 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 AB00104839-01?
The CAS number of AB00104839-01 is 340303-35-7.
What is the molecular formula of AB00104839-01?
The molecular formula of AB00104839-01 is C17H20N6.
What is the molecular weight of AB00104839-01?
The molecular weight of AB00104839-01 is 308.17 g/mol.
Where can I buy AB00104839-01?
You can request a quote for AB00104839-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00104839-01?
Yes, KEHONG BIO provides custom synthesis services for AB00104839-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.