BIM-0021163.P001
TL;DR: BIM-0021163.P001 (CAS 330202-92-1) is a chemical compound with molecular formula C20H16N2O7S2 and molecular weight 460.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-methoxy-4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-3-nitrobenzoate
Also Known As: BIM-0021163.P001, AM-879/12633001, methyl 4-[2-methoxy-4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-3-nitrobenzoate, methyl 4-{2-methoxy-4-[(E)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}-3-nitrobenzoate, (E)-methyl 4-(2-methoxy-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)-3-nitrobenzoate
| Molecular Formula | C20H16N2O7S2 |
|---|---|
| Molecular Weight | 460.04 g/mol |
| LogP | 4.0133 |
| Topological Polar Surface Area | 108.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.0399 |
| Heavy Atoms | 31 |
| Complexity | 1130.5066 |
Chemical Identifiers
| CAS Number | 330202-92-1 |
|---|---|
| SMILES | CN1C(=O)/C(=C\C2=CC(=C(C=C2)OC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-])OC)/SC1=S |
Product Overview
BIM-0021163.P001 (CAS 330202-92-1), with molecular formula C20H16N2O7S2 and molecular weight 460.04 g/mol. IUPAC: methyl 4-[2-methoxy-4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-3-nitrobenzoate.
Chemical Property Profile of BIM-0021163.P001
Property Insights of BIM-0021163.P001
The XLogP value of 4.0133 indicates that BIM-0021163.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.21 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0021163.P001. Following Lipinski's Rule of Five, BIM-0021163.P001 has 0 hydrogen bond donor(s) and 9 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-0021163.P001?
The CAS number of BIM-0021163.P001 is 330202-92-1.
What is the molecular formula of BIM-0021163.P001?
The molecular formula of BIM-0021163.P001 is C20H16N2O7S2.
What is the molecular weight of BIM-0021163.P001?
The molecular weight of BIM-0021163.P001 is 460.04 g/mol.
Where can I buy BIM-0021163.P001?
You can request a quote for BIM-0021163.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0021163.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0021163.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.