RefChem:1077828
TL;DR: RefChem:1077828 (CAS 113458-66-5) is a chemical compound with molecular formula C21H21N7O4 and molecular weight 435.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a-[4-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]phenyl]-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione
Also Known As: Benzaldehyde, 2-methoxy-, (4-(3,4,5,6,7,8-hexahydro-6,8-dimethyl-3,5,7-trioxopyrimido(5,4-e)-1,2,4-triazin-4a(2H)-yl)phenyl)hydrazone, RefChem:1077828, BRN 5672165
| Molecular Formula | C21H21N7O4 |
|---|---|
| Molecular Weight | 435.17 g/mol |
| LogP | 1.4866 |
| Topological Polar Surface Area | 127.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.1655 |
| Heavy Atoms | 32 |
| Complexity | 1145.092 |
Chemical Identifiers
| CAS Number | 113458-66-5 |
|---|---|
| SMILES | CN1C2=NNC(=O)NC2(C(=O)N(C1=O)C)C3=CC=C(C=C3)N/N=C/C4=CC=CC=C4OC |
Product Overview
RefChem:1077828 (CAS 113458-66-5), with molecular formula C21H21N7O4 and molecular weight 435.17 g/mol. IUPAC: 4a-[4-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]phenyl]-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione.
Chemical Property Profile of RefChem:1077828
Property Insights of RefChem:1077828
The XLogP value of 1.4866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1077828. The TPSA of 127.73 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1077828. Following Lipinski's Rule of Five, RefChem:1077828 has 3 hydrogen bond donor(s) and 7 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:1077828?
The CAS number of RefChem:1077828 is 113458-66-5.
What is the molecular formula of RefChem:1077828?
The molecular formula of RefChem:1077828 is C21H21N7O4.
What is the molecular weight of RefChem:1077828?
The molecular weight of RefChem:1077828 is 435.17 g/mol.
Where can I buy RefChem:1077828?
You can request a quote for RefChem:1077828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077828?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.