BIM-0049327.P001
TL;DR: BIM-0049327.P001 (CAS 314746-56-0) is a chemical compound with molecular formula C20H16N2O4S2 and molecular weight 412.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[4-oxo-3-[(2-phenylacetyl)amino]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate
Also Known As: BIM-0049327.P001, AB00097842-01, methyl 4-[(Z)-{4-oxo-3-[(phenylacetyl)amino]-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]benzoate, (Z)-methyl 4-((4-oxo-3-(2-phenylacetamido)-2-thioxothiazolidin-5-ylidene)methyl)benzoate, methyl 4-({4-oxo-3-[(phenylacetyl)amino]-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)benzoate
| Molecular Formula | C20H16N2O4S2 |
|---|---|
| Molecular Weight | 412.06 g/mol |
| LogP | 2.9483 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.05515 |
| Heavy Atoms | 28 |
| Complexity | 955.9308 |
Chemical Identifiers
| CAS Number | 314746-56-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)CC3=CC=CC=C3 |
Product Overview
BIM-0049327.P001 (CAS 314746-56-0), with molecular formula C20H16N2O4S2 and molecular weight 412.06 g/mol. IUPAC: methyl 4-[(Z)-[4-oxo-3-[(2-phenylacetyl)amino]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate.
Chemical Property Profile of BIM-0049327.P001
Property Insights of BIM-0049327.P001
The XLogP value of 2.9483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0049327.P001. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0049327.P001. Following Lipinski's Rule of Five, BIM-0049327.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-0049327.P001?
The CAS number of BIM-0049327.P001 is 314746-56-0.
What is the molecular formula of BIM-0049327.P001?
The molecular formula of BIM-0049327.P001 is C20H16N2O4S2.
What is the molecular weight of BIM-0049327.P001?
The molecular weight of BIM-0049327.P001 is 412.06 g/mol.
Where can I buy BIM-0049327.P001?
You can request a quote for BIM-0049327.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0049327.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0049327.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.