BAS 00871906
TL;DR: BAS 00871906 (CAS 389077-27-4) is a chemical compound with molecular formula C15H14BrNO3S2 and molecular weight 398.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
Also Known As: BAS 00871906, F0393-0633, 2-[5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid, (Z)-2-(5-(3-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid, 2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
| Molecular Formula | C15H14BrNO3S2 |
|---|---|
| Molecular Weight | 398.96 g/mol |
| LogP | 3.7595 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.95984 |
| Heavy Atoms | 22 |
| Complexity | 672.50635 |
Chemical Identifiers
| CAS Number | 389077-27-4 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1C(=O)C(=CC2=CC(=CC=C2)Br)SC1=S |
Product Overview
BAS 00871906 (CAS 389077-27-4), with molecular formula C15H14BrNO3S2 and molecular weight 398.96 g/mol. IUPAC: 2-[5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid.
Chemical Property Profile of BAS 00871906
Property Insights of BAS 00871906
The XLogP value of 3.7595 indicates that BAS 00871906 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, BAS 00871906 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00871906 has 1 hydrogen bond donor(s) and 4 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 BAS 00871906?
The CAS number of BAS 00871906 is 389077-27-4.
What is the molecular formula of BAS 00871906?
The molecular formula of BAS 00871906 is C15H14BrNO3S2.
What is the molecular weight of BAS 00871906?
The molecular weight of BAS 00871906 is 398.96 g/mol.
Where can I buy BAS 00871906?
You can request a quote for BAS 00871906 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00871906?
Yes, KEHONG BIO provides custom synthesis services for BAS 00871906 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.