F0631-0287
TL;DR: F0631-0287 (CAS 851969-20-5) is a chemical compound with molecular formula C29H28N6O3S and molecular weight 540.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-benzhydrylpiperazin-1-yl)-(4-nitrophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: F0631-0287, 5-{[4-(diphenylmethyl)piperazin-1-yl](4-nitrophenyl)methyl}-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol, 5-((4-benzhydrylpiperazin-1-yl)(4-nitrophenyl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[(4-benzhydrylpiperazin-1-yl)-(4-nitrophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
| Molecular Formula | C29H28N6O3S |
|---|---|
| Molecular Weight | 540.19 g/mol |
| LogP | 5.20962 |
| Topological Polar Surface Area | 100.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.19434 |
| Heavy Atoms | 39 |
| Complexity | 1538.9031 |
Chemical Identifiers
| CAS Number | 851969-20-5 |
|---|---|
| SMILES | CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)[N+](=O)[O-])N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)O |
Product Overview
F0631-0287 (CAS 851969-20-5), with molecular formula C29H28N6O3S and molecular weight 540.19 g/mol. IUPAC: 5-[(4-benzhydrylpiperazin-1-yl)-(4-nitrophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of F0631-0287
Property Insights of F0631-0287
The XLogP value of 5.20962 indicates that F0631-0287 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.04 Ų falls within the moderate polarity range, balancing permeability and solubility for F0631-0287. Following Lipinski's Rule of Five, F0631-0287 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0631-0287?
The CAS number of F0631-0287 is 851969-20-5.
What is the molecular formula of F0631-0287?
The molecular formula of F0631-0287 is C29H28N6O3S.
What is the molecular weight of F0631-0287?
The molecular weight of F0631-0287 is 540.19 g/mol.
Where can I buy F0631-0287?
You can request a quote for F0631-0287 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0631-0287?
Yes, KEHONG BIO provides custom synthesis services for F0631-0287 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.