A3109/0131707
TL;DR: A3109/0131707 (CAS 577982-32-2) is a chemical compound with molecular formula C23H20F3N5O6 and molecular weight 519.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide
Also Known As: A3109/0131707, N-(1-(3,4-dimethoxyphenethyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide, N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide, N-{1-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-2,4,6-TRIOXO-5-(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,6H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}PYRIDINE-3-CARBOXAMIDE, N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}pyridine-3-carboxamide
| Molecular Formula | C23H20F3N5O6 |
|---|---|
| Molecular Weight | 519.14 g/mol |
| LogP | 1.3312 |
| Topological Polar Surface Area | 144.41 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 519.1366 |
| Heavy Atoms | 37 |
| Complexity | 1484.9128 |
Chemical Identifiers
| CAS Number | 577982-32-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CN=CC=C4)OC |
Product Overview
A3109/0131707 (CAS 577982-32-2), with molecular formula C23H20F3N5O6 and molecular weight 519.14 g/mol. IUPAC: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide.
Chemical Property Profile of A3109/0131707
Property Insights of A3109/0131707
The XLogP value of 1.3312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3109/0131707. The TPSA of 144.41 Ų indicates high polarity, suggesting A3109/0131707 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A3109/0131707 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3109/0131707?
The CAS number of A3109/0131707 is 577982-32-2.
What is the molecular formula of A3109/0131707?
The molecular formula of A3109/0131707 is C23H20F3N5O6.
What is the molecular weight of A3109/0131707?
The molecular weight of A3109/0131707 is 519.14 g/mol.
Where can I buy A3109/0131707?
You can request a quote for A3109/0131707 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3109/0131707?
Yes, KEHONG BIO provides custom synthesis services for A3109/0131707 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.