![6-(4-fluorobenzyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione structure](/static/products/846/846591-89-7.png)
6-(4-fluorobenzyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
TL;DR: 6-(4-fluorobenzyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione (CAS 846591-89-7) is a chemical compound with molecular formula C22H20FN3O2 and molecular weight 377.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-fluorophenyl)methyl]-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
Also Known As: 6-(4-fluorobenzyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 6-(4-fluorobenzyl)-1,3-dimethyl-5-(m-tolyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 6-[(4-fluorophenyl)methyl]-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
| Molecular Formula | C22H20FN3O2 |
|---|---|
| Molecular Weight | 377.15 g/mol |
| LogP | 3.20152 |
| Topological Polar Surface Area | 48.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.15396 |
| Heavy Atoms | 28 |
| Complexity | 1310.8525 |
Chemical Identifiers
| CAS Number | 846591-89-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=C3C(=CN2CC4=CC=C(C=C4)F)N(C(=O)N(C3=O)C)C |
Product Overview
6-(4-fluorobenzyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione (CAS 846591-89-7), with molecular formula C22H20FN3O2 and molecular weight 377.15 g/mol. IUPAC: 6-[(4-fluorophenyl)methyl]-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
Chemical Property Profile of 6-(4-fluorobenzyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Property Insights of 6-(4-fluorobenzyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
The XLogP value of 3.20152 indicates that 6-(4-fluorobenzyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.93 Ų, 6-(4-fluorobenzyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(4-fluorobenzyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione has 0 hydrogen bond donor(s) and 2 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 6-(4-fluorobenzyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The CAS number of 6-(4-fluorobenzyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is 846591-89-7.
What is the molecular formula of 6-(4-fluorobenzyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The molecular formula of 6-(4-fluorobenzyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is C22H20FN3O2.
What is the molecular weight of 6-(4-fluorobenzyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The molecular weight of 6-(4-fluorobenzyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is 377.15 g/mol.
Where can I buy 6-(4-fluorobenzyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
You can request a quote for 6-(4-fluorobenzyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-fluorobenzyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-fluorobenzyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.