PQQ tri(dimethylamide)
TL;DR: PQQ tri(dimethylamide) (CAS 112881-58-0) is a chemical compound with molecular formula C20H21N5O5 and molecular weight 411.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N,2-N,7-N,7-N,9-N,9-N-hexamethyl-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxamide
Also Known As: PQQ tri(dimethylamide), 1H-Pyrrolo(2,3-f)quinoline-2,7,9-tricarboxamide, 4,5-dihydro-N,N,N',N',N'',N''-hexamethyl-4,5-dioxo-, 2-N,2-N,7-N,7-N,9-N,9-N-hexamethyl-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxamide, N~2~,N~2~,N~7~,N~7~,N~9~,N~9~-Hexamethyl-4,5-dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxamide, RefChem:240828
| Molecular Formula | C20H21N5O5 |
|---|---|
| Molecular Weight | 411.15 g/mol |
| LogP | 0.5611 |
| Topological Polar Surface Area | 123.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.15427 |
| Heavy Atoms | 30 |
| Complexity | 1126.8473 |
Chemical Identifiers
| CAS Number | 112881-58-0 |
|---|---|
| SMILES | CN(C)C(=O)C1=CC(=NC2=C1C3=C(C=C(N3)C(=O)N(C)C)C(=O)C2=O)C(=O)N(C)C |
Product Overview
PQQ tri(dimethylamide) (CAS 112881-58-0), with molecular formula C20H21N5O5 and molecular weight 411.15 g/mol. IUPAC: 2-N,2-N,7-N,7-N,9-N,9-N-hexamethyl-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxamide.
Chemical Property Profile of PQQ tri(dimethylamide)
Property Insights of PQQ tri(dimethylamide)
The XLogP value of 0.5611 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PQQ tri(dimethylamide). The TPSA of 123.75 Ų falls within the moderate polarity range, balancing permeability and solubility for PQQ tri(dimethylamide). Following Lipinski's Rule of Five, PQQ tri(dimethylamide) has 1 hydrogen bond donor(s) and 6 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 PQQ tri(dimethylamide)?
The CAS number of PQQ tri(dimethylamide) is 112881-58-0.
What is the molecular formula of PQQ tri(dimethylamide)?
The molecular formula of PQQ tri(dimethylamide) is C20H21N5O5.
What is the molecular weight of PQQ tri(dimethylamide)?
The molecular weight of PQQ tri(dimethylamide) is 411.15 g/mol.
Where can I buy PQQ tri(dimethylamide)?
You can request a quote for PQQ tri(dimethylamide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PQQ tri(dimethylamide)?
Yes, KEHONG BIO provides custom synthesis services for PQQ tri(dimethylamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.