2HBA
TL;DR: 2HBA (CAS 1164551-10-3) is a chemical compound with molecular formula C14H13NO4S2 and molecular weight 323.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: 3-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, J3.417.761I, BRD-K56642829-001-01-4, 3-[(5E)-4-keto-5-p-anisylidene-2-thioxo-thiazolidin-3-yl]propionic acid, 3-[5-(4-Methoxybenzylidene)-4-oxo-2-thioxo-3-thiazolidinyl]propionic acid
| Molecular Formula | C14H13NO4S2 |
|---|---|
| Molecular Weight | 323.03 g/mol |
| LogP | 2.3711 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.0286 |
| Heavy Atoms | 21 |
| Complexity | 609.90497 |
Chemical Identifiers
| CAS Number | 1164551-10-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)O |
Product Overview
2HBA (CAS 1164551-10-3), with molecular formula C14H13NO4S2 and molecular weight 323.03 g/mol. IUPAC: 3-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of 2HBA
Property Insights of 2HBA
The XLogP value of 2.3711 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2HBA. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2HBA. Following Lipinski's Rule of Five, 2HBA has 1 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 2HBA?
The CAS number of 2HBA is 1164551-10-3.
What is the molecular formula of 2HBA?
The molecular formula of 2HBA is C14H13NO4S2.
What is the molecular weight of 2HBA?
The molecular weight of 2HBA is 323.03 g/mol.
Where can I buy 2HBA?
You can request a quote for 2HBA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2HBA?
Yes, KEHONG BIO provides custom synthesis services for 2HBA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.