AF-399/36013042
TL;DR: AF-399/36013042 (CAS 384848-85-5) is a chemical compound with molecular formula C15H12BrNO5S2 and molecular weight 428.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid
Also Known As: AF-399/36013042, 2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid, F1951-0409, (Z)-2-(5-(3-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid, 2-[5-(3-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic acid
| Molecular Formula | C15H12BrNO5S2 |
|---|---|
| Molecular Weight | 428.93 g/mol |
| LogP | 2.9683 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.93402 |
| Heavy Atoms | 24 |
| Complexity | 749.1349 |
Chemical Identifiers
| CAS Number | 384848-85-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)/C=C\2/C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O |
Product Overview
AF-399/36013042 (CAS 384848-85-5), with molecular formula C15H12BrNO5S2 and molecular weight 428.93 g/mol. IUPAC: 2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid.
Chemical Property Profile of AF-399/36013042
Property Insights of AF-399/36013042
The XLogP value of 2.9683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/36013042. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/36013042. Following Lipinski's Rule of Five, AF-399/36013042 has 2 hydrogen bond donor(s) and 5 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-399/36013042?
The CAS number of AF-399/36013042 is 384848-85-5.
What is the molecular formula of AF-399/36013042?
The molecular formula of AF-399/36013042 is C15H12BrNO5S2.
What is the molecular weight of AF-399/36013042?
The molecular weight of AF-399/36013042 is 428.93 g/mol.
Where can I buy AF-399/36013042?
You can request a quote for AF-399/36013042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/36013042?
Yes, KEHONG BIO provides custom synthesis services for AF-399/36013042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.