BRD-K65110300-001-11-8
TL;DR: BRD-K65110300-001-11-8 (CAS 380905-75-9) is a chemical compound with molecular formula C16H14ClNO3S2 and molecular weight 367.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: BRD-K65110300-001-11-8, 4-((E)-5-((Z)-2-chloro-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, 4-[(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, 4-{(5E)-5-[(2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
| Molecular Formula | C16H14ClNO3S2 |
|---|---|
| Molecular Weight | 367.01 g/mol |
| LogP | 3.8753 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.01038 |
| Heavy Atoms | 23 |
| Complexity | 685.82556 |
Chemical Identifiers
| CAS Number | 380905-75-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C(/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)O)\Cl |
Product Overview
BRD-K65110300-001-11-8 (CAS 380905-75-9), with molecular formula C16H14ClNO3S2 and molecular weight 367.01 g/mol. IUPAC: 4-[(5E)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of BRD-K65110300-001-11-8
Property Insights of BRD-K65110300-001-11-8
The XLogP value of 3.8753 indicates that BRD-K65110300-001-11-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, BRD-K65110300-001-11-8 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BRD-K65110300-001-11-8 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 BRD-K65110300-001-11-8?
The CAS number of BRD-K65110300-001-11-8 is 380905-75-9.
What is the molecular formula of BRD-K65110300-001-11-8?
The molecular formula of BRD-K65110300-001-11-8 is C16H14ClNO3S2.
What is the molecular weight of BRD-K65110300-001-11-8?
The molecular weight of BRD-K65110300-001-11-8 is 367.01 g/mol.
Where can I buy BRD-K65110300-001-11-8?
You can request a quote for BRD-K65110300-001-11-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K65110300-001-11-8?
Yes, KEHONG BIO provides custom synthesis services for BRD-K65110300-001-11-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.