F1440-0016
TL;DR: F1440-0016 (CAS 500113-85-9) is a chemical compound with molecular formula C25H26N6O6S3 and molecular weight 602.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: F1440-0016, AF-399/41945546, N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-2-({4-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide, N-(4-(N-(2,6-dimethoxypyrimidin-4-yl)sulfamoyl)phenyl)-2-((3-methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
| Molecular Formula | C25H26N6O6S3 |
|---|---|
| Molecular Weight | 602.11 g/mol |
| LogP | 3.2126 |
| Topological Polar Surface Area | 154.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 602.1076 |
| Heavy Atoms | 40 |
| Complexity | 1729.4216 |
Chemical Identifiers
| CAS Number | 500113-85-9 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC(=NC(=N4)OC)OC)SC5=C2CCCC5 |
Product Overview
F1440-0016 (CAS 500113-85-9), with molecular formula C25H26N6O6S3 and molecular weight 602.11 g/mol. IUPAC: N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of F1440-0016
Property Insights of F1440-0016
The XLogP value of 3.2126 indicates that F1440-0016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.4 Ų indicates high polarity, suggesting F1440-0016 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F1440-0016 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1440-0016?
The CAS number of F1440-0016 is 500113-85-9.
What is the molecular formula of F1440-0016?
The molecular formula of F1440-0016 is C25H26N6O6S3.
What is the molecular weight of F1440-0016?
The molecular weight of F1440-0016 is 602.11 g/mol.
Where can I buy F1440-0016?
You can request a quote for F1440-0016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1440-0016?
Yes, KEHONG BIO provides custom synthesis services for F1440-0016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.