BIM-0000576.P001
TL;DR: BIM-0000576.P001 (CAS 5681-06-1) is a chemical compound with molecular formula C21H16BrNO4S2 and molecular weight 488.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-bromobenzoate
Also Known As: BIM-0000576.P001, 4-[(3-allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 3-bromobenzoate, [2-methoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-bromobenzoate, 2-METHOXY-4-{[(5E)-4-OXO-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}PHENYL 3-BROMOBENZOATE
| Molecular Formula | C21H16BrNO4S2 |
|---|---|
| Molecular Weight | 488.97 g/mol |
| LogP | 5.0641 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.9704 |
| Heavy Atoms | 29 |
| Complexity | 1035.0912 |
Chemical Identifiers
| CAS Number | 5681-06-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC=C)OC(=O)C3=CC(=CC=C3)Br |
Product Overview
BIM-0000576.P001 (CAS 5681-06-1), with molecular formula C21H16BrNO4S2 and molecular weight 488.97 g/mol. IUPAC: [2-methoxy-4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-bromobenzoate.
Chemical Property Profile of BIM-0000576.P001
Property Insights of BIM-0000576.P001
The XLogP value of 5.0641 indicates that BIM-0000576.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, BIM-0000576.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0000576.P001 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0000576.P001?
The CAS number of BIM-0000576.P001 is 5681-06-1.
What is the molecular formula of BIM-0000576.P001?
The molecular formula of BIM-0000576.P001 is C21H16BrNO4S2.
What is the molecular weight of BIM-0000576.P001?
The molecular weight of BIM-0000576.P001 is 488.97 g/mol.
Where can I buy BIM-0000576.P001?
You can request a quote for BIM-0000576.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0000576.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0000576.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.