BIM-0026729.P001
TL;DR: BIM-0026729.P001 (CAS 5630-85-3) is a chemical compound with molecular formula C17H15N3O3S2 and molecular weight 373.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
Also Known As: BIM-0026729.P001, AE-641/11700417, N-(5-methylisoxazol-3-yl)-3-[4-oxo-5-(phenylmethylene)-2-thioxo(1,3-thiazolidi n-3-yl)]propanamide, 3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide, 3-(5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-N-(5-methyl-3-isoxazolyl)propanamide
| Molecular Formula | C17H15N3O3S2 |
|---|---|
| Molecular Weight | 373.06 g/mol |
| LogP | 3.21302 |
| Topological Polar Surface Area | 75.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.05548 |
| Heavy Atoms | 25 |
| Complexity | 845.83276 |
Chemical Identifiers
| CAS Number | 5630-85-3 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CCN2C(=O)/C(=C/C3=CC=CC=C3)/SC2=S |
Product Overview
BIM-0026729.P001 (CAS 5630-85-3), with molecular formula C17H15N3O3S2 and molecular weight 373.06 g/mol. IUPAC: 3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
Chemical Property Profile of BIM-0026729.P001
Property Insights of BIM-0026729.P001
The XLogP value of 3.21302 indicates that BIM-0026729.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0026729.P001. Following Lipinski's Rule of Five, BIM-0026729.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-0026729.P001?
The CAS number of BIM-0026729.P001 is 5630-85-3.
What is the molecular formula of BIM-0026729.P001?
The molecular formula of BIM-0026729.P001 is C17H15N3O3S2.
What is the molecular weight of BIM-0026729.P001?
The molecular weight of BIM-0026729.P001 is 373.06 g/mol.
Where can I buy BIM-0026729.P001?
You can request a quote for BIM-0026729.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0026729.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0026729.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.