batimastat
TL;DR: batimastat (CAS 130370-60-4) is a chemical compound with molecular formula C23H31N3O4S2 and molecular weight 477.1756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-hydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamide
Also Known As: batimastat, BB94, (2S,3R)-N-hydroxy-N'-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamide, BB-94; (2R,3S)-N4-Hydroxy-N1-[(1S)-2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl]-2-(2-methylpropyl)-3-[(2-thienylthio)methyl]butanediamide, N-hydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamide
Technical Specifications
| Molecular Formula | C23H31N3O4S2 |
| Molecular Weight | 477.1756 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 477.1756 Da |
| Heavy Atoms | 32 |
| Complexity | 614.0 |
| SMILES | CC(C)CC(C(CSC1=CC=CS1)C(=O)NO)C(=O)NC(CC2=CC=CC=C2)C(=O)NC |
| InChIKey | XFILPEOLDIKJHX-UHFFFAOYSA-N |
Chemical Property Profile of batimastat
Property Insights of batimastat
The XLogP value of 3.5 indicates that batimastat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting batimastat may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, batimastat has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of batimastat?
The CAS number of batimastat is 130370-60-4.
What is the molecular formula of batimastat?
The molecular formula of batimastat is C23H31N3O4S2.
What is the molecular weight of batimastat?
The molecular weight of batimastat is 477.1756 g/mol.
Where can I buy batimastat?
You can request a quote for batimastat directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for batimastat?
Yes, CoreyChem provides custom synthesis services for batimastat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.