BB 2116
TL;DR: BB 2116 (CAS 157726-04-0) is a chemical compound with molecular formula C24H38N4O6S and molecular weight 510.25122 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S)-N-[(2S)-6-acetamido-1-(methylamino)-1-oxohexan-2-yl]-N'-hydroxy-3-[(4-hydroxyphenyl)sulfanylmethyl]-2-(2-methylpropyl)butanediamide
Also Known As: BB 2116, Butanediamide, N4-(5-(acetylamino)-1-((methylamino)carbonyl)pentyl)-N1-hydroxy-2-(((4-hydroxyphenyl)thio)methyl)-3-(2-methylpropyl)-, (2S-(N4(R*),2R*,3S*))-, (2R,3S)-N-[(2S)-6-acetamido-1-(methylamino)-1-oxohexan-2-yl]-N'-hydroxy-3-[(4-hydroxyphenyl)sulfanylmethyl]-2-(2-methylpropyl)butanediamide, (2R)-N-[(1S)-5-acetamido-1-(methylcarbamoyl)pentyl]-2-[(1S)-2-(hydroxyamino)-1-[(4-hydroxyphenyl)sulfanylmethyl]-2-oxo-ethyl]-4-methyl-pentanamide, (2R,3S)-N-[(S)-1-(Methylcarbamoyl)-5-(acetylamino)pentyl]-N -hydroxy-2-isobutyl-3-[[(4-hydroxyphenyl)thio]methyl]butanediamide
Technical Specifications
| Molecular Formula | C24H38N4O6S |
| Molecular Weight | 510.25122 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 182.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 510.25122 Da |
| Heavy Atoms | 35 |
| Complexity | 685.0 |
| SMILES | CC(C)C[C@H]([C@H](CSC1=CC=C(C=C1)O)C(=O)NO)C(=O)N[C@@H](CCCCNC(=O)C)C(=O)NC |
| InChIKey | JXPAEGFEJLMUOM-HKBOAZHASA-N |
Chemical Property Profile of BB 2116
Property Insights of BB 2116
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BB 2116. The TPSA of 182.0 Ų indicates high polarity, suggesting BB 2116 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BB 2116 has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BB 2116?
The CAS number of BB 2116 is 157726-04-0.
What is the molecular formula of BB 2116?
The molecular formula of BB 2116 is C24H38N4O6S.
What is the molecular weight of BB 2116?
The molecular weight of BB 2116 is 510.25122 g/mol.
Where can I buy BB 2116?
You can request a quote for BB 2116 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BB 2116?
Yes, CoreyChem provides custom synthesis services for BB 2116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.