![9-(3-chloro-4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione structure](/static/products/836/836633-78-4.png)
9-(3-chloro-4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
TL;DR: 9-(3-chloro-4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione (CAS 836633-78-4) is a chemical compound with molecular formula C22H16ClN5O3 and molecular weight 433.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-4-methoxyphenyl)-6-methyl-4-phenyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,8-tetraene-10,12-dione
Also Known As: 9-(3-chloro-4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
| Molecular Formula | C22H16ClN5O3 |
|---|---|
| Molecular Weight | 433.09 g/mol |
| LogP | 3.33492 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 433.09418 |
| Heavy Atoms | 31 |
| Complexity | 1535.1688 |
Chemical Identifiers
| CAS Number | 836633-78-4 |
|---|---|
| SMILES | CC1=NN(C2=C1C=C3C(=O)NC(=O)N=C3N2C4=CC(=C(C=C4)OC)Cl)C5=CC=CC=C5 |
Product Overview
9-(3-chloro-4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione (CAS 836633-78-4), with molecular formula C22H16ClN5O3 and molecular weight 433.09 g/mol. IUPAC: 2-(3-chloro-4-methoxyphenyl)-6-methyl-4-phenyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,8-tetraene-10,12-dione.
Chemical Property Profile of 9-(3-chloro-4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
Property Insights of 9-(3-chloro-4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
The XLogP value of 3.33492 indicates that 9-(3-chloro-4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(3-chloro-4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione. Following Lipinski's Rule of Five, 9-(3-chloro-4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione has 1 hydrogen bond donor(s) and 5 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 9-(3-chloro-4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione?
The CAS number of 9-(3-chloro-4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione is 836633-78-4.
What is the molecular formula of 9-(3-chloro-4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione?
The molecular formula of 9-(3-chloro-4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione is C22H16ClN5O3.
What is the molecular weight of 9-(3-chloro-4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione?
The molecular weight of 9-(3-chloro-4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione is 433.09 g/mol.
Where can I buy 9-(3-chloro-4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione?
You can request a quote for 9-(3-chloro-4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(3-chloro-4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-(3-chloro-4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.