![5-(4-(tert-butyl)phenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione structure](/static/products/846/846599-59-5.png)
5-(4-(tert-butyl)phenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
TL;DR: 5-(4-(tert-butyl)phenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione (CAS 846599-59-5) is a chemical compound with molecular formula C28H31N3O3 and molecular weight 457.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-tert-butylphenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
Also Known As: 5-(4-(tert-butyl)phenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 5-(4-tert-butylphenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 5-(4-tert-butylphenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
| Molecular Formula | C28H31N3O3 |
|---|---|
| Molecular Weight | 457.24 g/mol |
| LogP | 4.5768 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 457.23654 |
| Heavy Atoms | 34 |
| Complexity | 1544.0277 |
Chemical Identifiers
| CAS Number | 846599-59-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=C3C(=CN2C4=C(C=C5CCCCC5=C4)O)N(C(=O)N(C3=O)C)C |
Product Overview
5-(4-(tert-butyl)phenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione (CAS 846599-59-5), with molecular formula C28H31N3O3 and molecular weight 457.24 g/mol. IUPAC: 5-(4-tert-butylphenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.
Chemical Property Profile of 5-(4-(tert-butyl)phenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Property Insights of 5-(4-(tert-butyl)phenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
The XLogP value of 4.5768 indicates that 5-(4-(tert-butyl)phenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-(tert-butyl)phenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione. Following Lipinski's Rule of Five, 5-(4-(tert-butyl)phenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-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-(tert-butyl)phenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The CAS number of 5-(4-(tert-butyl)phenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is 846599-59-5.
What is the molecular formula of 5-(4-(tert-butyl)phenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The molecular formula of 5-(4-(tert-butyl)phenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is C28H31N3O3.
What is the molecular weight of 5-(4-(tert-butyl)phenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The molecular weight of 5-(4-(tert-butyl)phenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is 457.24 g/mol.
Where can I buy 5-(4-(tert-butyl)phenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
You can request a quote for 5-(4-(tert-butyl)phenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-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-(tert-butyl)phenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-(tert-butyl)phenyl)-6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-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.