RefChem:214982
TL;DR: RefChem:214982 (CAS 80645-73-4) is a chemical compound with molecular formula C27H27N5O4 and molecular weight 485.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one
Also Known As: 1,2,4-Triazin-3(2H)-one, 5,6-bis(4-(dimethylamino)phenyl)-2-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-, 5,6-Bis(dimethylamino)-2-(3,4-dihydrobenzoyl)methyl-1,2,4-triazin-3(2H)-one, 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-5,6-bis(4-dimethylaminophenyl)-1,2,4-triazin-3-one, 2-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3(2H)-one, RefChem:214982
| Molecular Formula | C27H27N5O4 |
|---|---|
| Molecular Weight | 485.21 g/mol |
| LogP | 3.3984 |
| Topological Polar Surface Area | 111.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.2063 |
| Heavy Atoms | 36 |
| Complexity | 1459.4869 |
Chemical Identifiers
| CAS Number | 80645-73-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)N(C)C)CC(=O)C4=CC(=C(C=C4)O)O |
Product Overview
RefChem:214982 (CAS 80645-73-4), with molecular formula C27H27N5O4 and molecular weight 485.21 g/mol. IUPAC: 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one.
Chemical Property Profile of RefChem:214982
Property Insights of RefChem:214982
The XLogP value of 3.3984 indicates that RefChem:214982 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.79 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:214982. Following Lipinski's Rule of Five, RefChem:214982 has 2 hydrogen bond donor(s) and 8 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:214982?
The CAS number of RefChem:214982 is 80645-73-4.
What is the molecular formula of RefChem:214982?
The molecular formula of RefChem:214982 is C27H27N5O4.
What is the molecular weight of RefChem:214982?
The molecular weight of RefChem:214982 is 485.21 g/mol.
Where can I buy RefChem:214982?
You can request a quote for RefChem:214982 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:214982?
Yes, KEHONG BIO provides custom synthesis services for RefChem:214982 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.