F0631-0276
TL;DR: F0631-0276 (CAS 851810-91-8) is a chemical compound with molecular formula C19H21N5O5S and molecular weight 431.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-nitrophenyl)methyl]piperidine-4-carboxylate
Also Known As: F0631-0276, methyl 1-({6-hydroxy-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl}(4-nitrophenyl)methyl)piperidine-4-carboxylate, methyl 1-((6-hydroxy-2-methylthiazolo[3,2-b][1,2,4]triazol-5-yl)(4-nitrophenyl)methyl)piperidine-4-carboxylate, methyl 1-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-nitrophenyl)methyl]piperidine-4-carboxylate
| Molecular Formula | C19H21N5O5S |
|---|---|
| Molecular Weight | 431.13 g/mol |
| LogP | 2.68742 |
| Topological Polar Surface Area | 123.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.12634 |
| Heavy Atoms | 30 |
| Complexity | 1084.8738 |
Chemical Identifiers
| CAS Number | 851810-91-8 |
|---|---|
| SMILES | CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)[N+](=O)[O-])N4CCC(CC4)C(=O)OC)O |
Product Overview
F0631-0276 (CAS 851810-91-8), with molecular formula C19H21N5O5S and molecular weight 431.13 g/mol. IUPAC: methyl 1-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-nitrophenyl)methyl]piperidine-4-carboxylate.
Chemical Property Profile of F0631-0276
Property Insights of F0631-0276
The XLogP value of 2.68742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0631-0276. The TPSA of 123.1 Ų falls within the moderate polarity range, balancing permeability and solubility for F0631-0276. Following Lipinski's Rule of Five, F0631-0276 has 1 hydrogen bond donor(s) and 9 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 F0631-0276?
The CAS number of F0631-0276 is 851810-91-8.
What is the molecular formula of F0631-0276?
The molecular formula of F0631-0276 is C19H21N5O5S.
What is the molecular weight of F0631-0276?
The molecular weight of F0631-0276 is 431.13 g/mol.
Where can I buy F0631-0276?
You can request a quote for F0631-0276 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0631-0276?
Yes, KEHONG BIO provides custom synthesis services for F0631-0276 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.