Bacillin
TL;DR: Bacillin (CAS 165314-93-2) is a chemical compound with molecular formula C12H18N2O5 and molecular weight 270.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-2-aminopropanoyl] (2S)-2-amino-3-[(1R,6R)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoate
Also Known As: Bacillin, Bacilysin, Tetaine, Antibiotic KM 208, KST-1A1885
| Molecular Formula | C12H18N2O5 |
|---|---|
| Molecular Weight | 270.12 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.12158 |
| Heavy Atoms | 19 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 165314-93-2 |
|---|---|
| SMILES | C[C@@H](C(=O)OC(=O)[C@H](CC1CCC(=O)[C@H]2[C@@H]1O2)N)N |
| InChIKey | JJOSOKMLZZVGKD-INVWQFOESA-N |
Product Overview
Bacillin (CAS 165314-93-2), with molecular formula C12H18N2O5 and molecular weight 270.12 g/mol. IUPAC: [(2S)-2-aminopropanoyl] (2S)-2-amino-3-[(1R,6R)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoate.
Chemical Property Profile of Bacillin
Property Insights of Bacillin
The XLogP value of -1.2 indicates that Bacillin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bacillin. Following Lipinski's Rule of Five, Bacillin has 2 hydrogen bond donor(s) and 7 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 Bacillin?
The CAS number of Bacillin is 165314-93-2.
What is the molecular formula of Bacillin?
The molecular formula of Bacillin is C12H18N2O5.
What is the molecular weight of Bacillin?
The molecular weight of Bacillin is 270.12 g/mol.
Where can I buy Bacillin?
You can request a quote for Bacillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bacillin?
Yes, KEHONG BIO provides custom synthesis services for Bacillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.