ST 876
TL;DR: ST 876 (CAS 84423-95-0) is a chemical compound with molecular formula C25H28N4O7 and molecular weight 496.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-bis(4-methoxyphenyl)-2-[3-(prop-2-enylamino)propyl]-1,2,4-triazin-3-one;oxalic acid
Also Known As: 1,2,4-Triazin-3(2H)-one, 5,6-bis(4-methoxyphenyl)-2-(3-(2-propenylamino)propyl)-, ethanedioate (1:1), Oxalate de l'oxo-3 gamma-allylaminopropyl-2 di(paramethoxyphenyl)-5,6-as triazine [French], Oxalate de l'oxo-3 gamma-allylaminopropyl-2 di(paramethoxyphenyl)-5,6-as triazine, 5,6-bis(4-methoxyphenyl)-2-[3-(prop-2-enylamino)propyl]-1,2,4-triazin-3-one; oxalic acid, Oxalic acid--5,6-bis(4-methoxyphenyl)-2-{3-[(prop-2-en-1-yl)amino]propyl}-1,2,4-triazin-3(2H)-one (1/1)
| Molecular Formula | C25H28N4O7 |
|---|---|
| Molecular Weight | 496.20 g/mol |
| LogP | 2.3108 |
| Topological Polar Surface Area | 152.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 496.1958 |
| Heavy Atoms | 36 |
| Complexity | 1210.6503 |
Chemical Identifiers
| CAS Number | 84423-95-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)OC)CCCNCC=C.C(=O)(C(=O)O)O |
Product Overview
ST 876 (CAS 84423-95-0), with molecular formula C25H28N4O7 and molecular weight 496.20 g/mol. IUPAC: 5,6-bis(4-methoxyphenyl)-2-[3-(prop-2-enylamino)propyl]-1,2,4-triazin-3-one;oxalic acid.
Chemical Property Profile of ST 876
Property Insights of ST 876
The XLogP value of 2.3108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ST 876. The TPSA of 152.87 Ų indicates high polarity, suggesting ST 876 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ST 876 has 3 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 ST 876?
The CAS number of ST 876 is 84423-95-0.
What is the molecular formula of ST 876?
The molecular formula of ST 876 is C25H28N4O7.
What is the molecular weight of ST 876?
The molecular weight of ST 876 is 496.20 g/mol.
Where can I buy ST 876?
You can request a quote for ST 876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ST 876?
Yes, KEHONG BIO provides custom synthesis services for ST 876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.