BIM-0011871.P001
TL;DR: BIM-0011871.P001 (CAS 5549-01-9) is a chemical compound with molecular formula C18H12BrNO4S2 and molecular weight 448.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-bromobenzoate
Also Known As: BIM-0011871.P001, 2-methoxy-4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-bromobenzoate, [2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-bromobenzoate, 2-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-bromobenzoate, 2-METHOXY-4-{[(5E)-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}PHENYL 2-BROMOBENZOATE
| Molecular Formula | C18H12BrNO4S2 |
|---|---|
| Molecular Weight | 448.94 g/mol |
| LogP | 4.1657 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.93912 |
| Heavy Atoms | 26 |
| Complexity | 942.5384 |
Chemical Identifiers
| CAS Number | 5549-01-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=S)S2)OC(=O)C3=CC=CC=C3Br |
Product Overview
BIM-0011871.P001 (CAS 5549-01-9), with molecular formula C18H12BrNO4S2 and molecular weight 448.94 g/mol. IUPAC: [2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-bromobenzoate.
Chemical Property Profile of BIM-0011871.P001
Property Insights of BIM-0011871.P001
The XLogP value of 4.1657 indicates that BIM-0011871.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0011871.P001. Following Lipinski's Rule of Five, BIM-0011871.P001 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 BIM-0011871.P001?
The CAS number of BIM-0011871.P001 is 5549-01-9.
What is the molecular formula of BIM-0011871.P001?
The molecular formula of BIM-0011871.P001 is C18H12BrNO4S2.
What is the molecular weight of BIM-0011871.P001?
The molecular weight of BIM-0011871.P001 is 448.94 g/mol.
Where can I buy BIM-0011871.P001?
You can request a quote for BIM-0011871.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0011871.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0011871.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.