RefChem:377791
TL;DR: RefChem:377791 (CAS 113458-68-7) is a chemical compound with molecular formula C14H17N7O3 and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a-(3,4-diamino-5-methylphenyl)-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione
Also Known As: Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(3,4-diamino-5-methylphenyl)-6,8-dimethyl-, 4a-(3,4-Diamino-5-methylphenyl)-3-hydroxy-6,8-dimethyl-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione, 4a-(3,4-diamino-5-methylphenyl)-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione, BRN 5630891, RefChem:377791
| Molecular Formula | C14H17N7O3 |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | -0.49518 |
| Topological Polar Surface Area | 146.15 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.13928 |
| Heavy Atoms | 24 |
| Complexity | 795.58124 |
Chemical Identifiers
| CAS Number | 113458-68-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1N)N)C23C(=NNC(=O)N2)N(C(=O)N(C3=O)C)C |
Product Overview
RefChem:377791 (CAS 113458-68-7), with molecular formula C14H17N7O3 and molecular weight 331.14 g/mol. IUPAC: 4a-(3,4-diamino-5-methylphenyl)-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione.
Chemical Property Profile of RefChem:377791
Property Insights of RefChem:377791
The XLogP value of -0.49518 indicates that RefChem:377791 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.15 Ų indicates high polarity, suggesting RefChem:377791 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:377791 has 4 hydrogen bond donor(s) and 6 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:377791?
The CAS number of RefChem:377791 is 113458-68-7.
What is the molecular formula of RefChem:377791?
The molecular formula of RefChem:377791 is C14H17N7O3.
What is the molecular weight of RefChem:377791?
The molecular weight of RefChem:377791 is 331.14 g/mol.
Where can I buy RefChem:377791?
You can request a quote for RefChem:377791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377791?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.