RefChem:377756
TL;DR: RefChem:377756 (CAS 114431-60-6) is a chemical compound with molecular formula C17H17N5O3 and molecular weight 339.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-1,3-dimethyl-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione
Also Known As: Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 6,7-dihydro-1,3-dimethyl-9-(phenylmethyl)-, 6,7-Dihydro-1,3-dimethyl-9-(phenylmethyl)pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 9-benzyl-1,3-dimethyl-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione, 9-Benzyl-1,3-dimethyl-6,7-dihydropyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione, BRN 5642718
| Molecular Formula | C17H17N5O3 |
|---|---|
| Molecular Weight | 339.13 g/mol |
| LogP | 0.3706 |
| Topological Polar Surface Area | 82.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.13315 |
| Heavy Atoms | 25 |
| Complexity | 1107.2443 |
Chemical Identifiers
| CAS Number | 114431-60-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3CCC(=O)N(C3=N2)CC4=CC=CC=C4 |
Product Overview
RefChem:377756 (CAS 114431-60-6), with molecular formula C17H17N5O3 and molecular weight 339.13 g/mol. IUPAC: 9-benzyl-1,3-dimethyl-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione.
Chemical Property Profile of RefChem:377756
Property Insights of RefChem:377756
The XLogP value of 0.3706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:377756. The TPSA of 82.13 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:377756. Following Lipinski's Rule of Five, RefChem:377756 has 0 hydrogen bond donor(s) and 4 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 RefChem:377756?
The CAS number of RefChem:377756 is 114431-60-6.
What is the molecular formula of RefChem:377756?
The molecular formula of RefChem:377756 is C17H17N5O3.
What is the molecular weight of RefChem:377756?
The molecular weight of RefChem:377756 is 339.13 g/mol.
Where can I buy RefChem:377756?
You can request a quote for RefChem:377756 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377756?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377756 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.