A4045/0172491
TL;DR: A4045/0172491 (CAS 900016-16-2) is a chemical compound with molecular formula C23H18F3N3O4 and molecular weight 457.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-(3,4-dimethoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]benzoic acid
Also Known As: A4045/0172491, 4-[6-(3,4-dimethoxyphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]benzoic acid, 4-(6-(3,4-dimethoxyphenyl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)benzoic acid, 4-[6-(3,4-dimethoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzoic acid
| Molecular Formula | C23H18F3N3O4 |
|---|---|
| Molecular Weight | 457.12 g/mol |
| LogP | 5.13012 |
| Topological Polar Surface Area | 86.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.12494 |
| Heavy Atoms | 33 |
| Complexity | 1362.3772 |
Chemical Identifiers
| CAS Number | 900016-16-2 |
|---|---|
| SMILES | CC1=NN(C2=C1C(=CC(=N2)C3=CC(=C(C=C3)OC)OC)C(F)(F)F)C4=CC=C(C=C4)C(=O)O |
Product Overview
A4045/0172491 (CAS 900016-16-2), with molecular formula C23H18F3N3O4 and molecular weight 457.12 g/mol. IUPAC: 4-[6-(3,4-dimethoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]benzoic acid.
Chemical Property Profile of A4045/0172491
Property Insights of A4045/0172491
The XLogP value of 5.13012 indicates that A4045/0172491 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.47 Ų falls within the moderate polarity range, balancing permeability and solubility for A4045/0172491. Following Lipinski's Rule of Five, A4045/0172491 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4045/0172491?
The CAS number of A4045/0172491 is 900016-16-2.
What is the molecular formula of A4045/0172491?
The molecular formula of A4045/0172491 is C23H18F3N3O4.
What is the molecular weight of A4045/0172491?
The molecular weight of A4045/0172491 is 457.12 g/mol.
Where can I buy A4045/0172491?
You can request a quote for A4045/0172491 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4045/0172491?
Yes, KEHONG BIO provides custom synthesis services for A4045/0172491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.