AF-399/41945551
TL;DR: AF-399/41945551 (CAS 612802-45-6) is a chemical compound with molecular formula C18H20N4O4S3 and molecular weight 452.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide
Also Known As: AF-399/41945551, 4-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)butanamide, 4-[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide, 4-(5,6-dimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio))-N-(4-sulfamo ylphenyl)butanamide, 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide
| Molecular Formula | C18H20N4O4S3 |
|---|---|
| Molecular Weight | 452.06 g/mol |
| LogP | 2.75984 |
| Topological Polar Surface Area | 135.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.06467 |
| Heavy Atoms | 29 |
| Complexity | 1214.3723 |
Chemical Identifiers
| CAS Number | 612802-45-6 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)NC(=N2)SCCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C |
Product Overview
AF-399/41945551 (CAS 612802-45-6), with molecular formula C18H20N4O4S3 and molecular weight 452.06 g/mol. IUPAC: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide.
Chemical Property Profile of AF-399/41945551
Property Insights of AF-399/41945551
The XLogP value of 2.75984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/41945551. The TPSA of 135.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41945551. Following Lipinski's Rule of Five, AF-399/41945551 has 3 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 AF-399/41945551?
The CAS number of AF-399/41945551 is 612802-45-6.
What is the molecular formula of AF-399/41945551?
The molecular formula of AF-399/41945551 is C18H20N4O4S3.
What is the molecular weight of AF-399/41945551?
The molecular weight of AF-399/41945551 is 452.06 g/mol.
Where can I buy AF-399/41945551?
You can request a quote for AF-399/41945551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41945551?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41945551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.