![5-(4-chlorophenyl)-6-(2-(hydroxymethyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione structure](/static/products/879/879569-46-7.png)
5-(4-chlorophenyl)-6-(2-(hydroxymethyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
TL;DR: 5-(4-chlorophenyl)-6-(2-(hydroxymethyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione (CAS 879569-46-7) is a chemical compound with molecular formula C21H18ClN3O3 and molecular weight 395.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-6-[2-(hydroxymethyl)phenyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
Also Known As: 5-(4-chlorophenyl)-6-(2-(hydroxymethyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 5-(4-chlorophenyl)-6-[2-(hydroxymethyl)phenyl]-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 5-(4-chlorophenyl)-6-[2-(hydroxymethyl)phenyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
| Molecular Formula | C21H18ClN3O3 |
|---|---|
| Molecular Weight | 395.10 g/mol |
| LogP | 2.8406 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.10367 |
| Heavy Atoms | 28 |
| Complexity | 1313.9664 |
Chemical Identifiers
| CAS Number | 879569-46-7 |
|---|---|
| SMILES | CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=C(C=C3)Cl)C4=CC=CC=C4CO |
Product Overview
5-(4-chlorophenyl)-6-(2-(hydroxymethyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione (CAS 879569-46-7), with molecular formula C21H18ClN3O3 and molecular weight 395.10 g/mol. IUPAC: 5-(4-chlorophenyl)-6-[2-(hydroxymethyl)phenyl]-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.
Chemical Property Profile of 5-(4-chlorophenyl)-6-(2-(hydroxymethyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Property Insights of 5-(4-chlorophenyl)-6-(2-(hydroxymethyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
The XLogP value of 2.8406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-chlorophenyl)-6-(2-(hydroxymethyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-chlorophenyl)-6-(2-(hydroxymethyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione. Following Lipinski's Rule of Five, 5-(4-chlorophenyl)-6-(2-(hydroxymethyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione has 1 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 5-(4-chlorophenyl)-6-(2-(hydroxymethyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The CAS number of 5-(4-chlorophenyl)-6-(2-(hydroxymethyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is 879569-46-7.
What is the molecular formula of 5-(4-chlorophenyl)-6-(2-(hydroxymethyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The molecular formula of 5-(4-chlorophenyl)-6-(2-(hydroxymethyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is C21H18ClN3O3.
What is the molecular weight of 5-(4-chlorophenyl)-6-(2-(hydroxymethyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The molecular weight of 5-(4-chlorophenyl)-6-(2-(hydroxymethyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is 395.10 g/mol.
Where can I buy 5-(4-chlorophenyl)-6-(2-(hydroxymethyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
You can request a quote for 5-(4-chlorophenyl)-6-(2-(hydroxymethyl)phenyl)-1,3-dimethyl-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 5-(4-chlorophenyl)-6-(2-(hydroxymethyl)phenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chlorophenyl)-6-(2-(hydroxymethyl)phenyl)-1,3-dimethyl-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.