BTB 01514
TL;DR: BTB 01514 (CAS 49581-16-0) is a chemical compound with molecular formula C13H13NO4S2 and molecular weight 311.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
Also Known As: BTB 01514, BAS 00257769, 2-Thioxo-5-[ methylene]-4-thiazolidinone, 5-(3,4,5-Trimethoxybenzylidene)rhodanine, (5E)-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
| Molecular Formula | C13H13NO4S2 |
|---|---|
| Molecular Weight | 311.03 g/mol |
| LogP | 2.2012 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0286 |
| Heavy Atoms | 20 |
| Complexity | 573.0291 |
Chemical Identifiers
| CAS Number | 49581-16-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=O)NC(=S)S2 |
Product Overview
BTB 01514 (CAS 49581-16-0), with molecular formula C13H13NO4S2 and molecular weight 311.03 g/mol. IUPAC: (5E)-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
Chemical Property Profile of BTB 01514
Property Insights of BTB 01514
The XLogP value of 2.2012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BTB 01514. With a topological polar surface area (TPSA) of 56.79 Ų, BTB 01514 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BTB 01514 has 1 hydrogen bond donor(s) and 6 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 BTB 01514?
The CAS number of BTB 01514 is 49581-16-0.
What is the molecular formula of BTB 01514?
The molecular formula of BTB 01514 is C13H13NO4S2.
What is the molecular weight of BTB 01514?
The molecular weight of BTB 01514 is 311.03 g/mol.
Where can I buy BTB 01514?
You can request a quote for BTB 01514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BTB 01514?
Yes, KEHONG BIO provides custom synthesis services for BTB 01514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.