F0631-0040
TL;DR: F0631-0040 (CAS 851809-28-4) is a chemical compound with molecular formula C20H24N4O3S and molecular weight 400.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: F0631-0040, 5-({1,4-dioxa-8-azaspiro[4.5]decan-8-yl}(4-methylphenyl)methyl)-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol, 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl(p-tolyl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
| Molecular Formula | C20H24N4O3S |
|---|---|
| Molecular Weight | 400.16 g/mol |
| LogP | 3.04154 |
| Topological Polar Surface Area | 72.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.15692 |
| Heavy Atoms | 28 |
| Complexity | 980.9673 |
Chemical Identifiers
| CAS Number | 851809-28-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C2=C(N3C(=NC(=N3)C)S2)O)N4CCC5(CC4)OCCO5 |
Product Overview
F0631-0040 (CAS 851809-28-4), with molecular formula C20H24N4O3S and molecular weight 400.16 g/mol. IUPAC: 5-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of F0631-0040
Property Insights of F0631-0040
The XLogP value of 3.04154 indicates that F0631-0040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.12 Ų falls within the moderate polarity range, balancing permeability and solubility for F0631-0040. Following Lipinski's Rule of Five, F0631-0040 has 1 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 F0631-0040?
The CAS number of F0631-0040 is 851809-28-4.
What is the molecular formula of F0631-0040?
The molecular formula of F0631-0040 is C20H24N4O3S.
What is the molecular weight of F0631-0040?
The molecular weight of F0631-0040 is 400.16 g/mol.
Where can I buy F0631-0040?
You can request a quote for F0631-0040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0631-0040?
Yes, KEHONG BIO provides custom synthesis services for F0631-0040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.