A3468/0147029
TL;DR: A3468/0147029 (CAS 696648-59-6) is a chemical compound with molecular formula C19H16FN3O3 and molecular weight 353.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Also Known As: A3468/0147029, 6-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 6-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
| Molecular Formula | C19H16FN3O3 |
|---|---|
| Molecular Weight | 353.12 g/mol |
| LogP | 2.5283 |
| Topological Polar Surface Area | 72.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.11758 |
| Heavy Atoms | 26 |
| Complexity | 922.0505 |
Chemical Identifiers
| CAS Number | 696648-59-6 |
|---|---|
| SMILES | CN1C2=C(C(NC1=O)C3=CC=C(C=C3)O)C(=O)N(C2)C4=CC=C(C=C4)F |
Product Overview
A3468/0147029 (CAS 696648-59-6), with molecular formula C19H16FN3O3 and molecular weight 353.12 g/mol. IUPAC: 6-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
Chemical Property Profile of A3468/0147029
Property Insights of A3468/0147029
The XLogP value of 2.5283 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3468/0147029. The TPSA of 72.88 Ų falls within the moderate polarity range, balancing permeability and solubility for A3468/0147029. Following Lipinski's Rule of Five, A3468/0147029 has 2 hydrogen bond donor(s) and 3 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 A3468/0147029?
The CAS number of A3468/0147029 is 696648-59-6.
What is the molecular formula of A3468/0147029?
The molecular formula of A3468/0147029 is C19H16FN3O3.
What is the molecular weight of A3468/0147029?
The molecular weight of A3468/0147029 is 353.12 g/mol.
Where can I buy A3468/0147029?
You can request a quote for A3468/0147029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3468/0147029?
Yes, KEHONG BIO provides custom synthesis services for A3468/0147029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.