Enterocin
TL;DR: Enterocin (CAS 59678-46-5) is a chemical compound with molecular formula C22H20O10 and molecular weight 444.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3S,6R,8R,9S)-2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.03,8]decan-4-one
Also Known As: Enterocin, Vulgamycin, (1S,2S,3S,6R,8R,9S)-2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.03,8]decan-4-one, (1S,2S,3S,6R,8R,9S,10R)-2-Benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.03,8]decan-4-one, 3,6-Methanocyclopenta(c)pyran-1(3H)-one, 7-benzoylhexahydro-4a,6,7a,8-tetrahydroxy-5-(4-methoxy-2-oxo-2H-pyran-6-yl)-, (3R,4aR,5S,6S,7S,7aS,8R)-
| Molecular Formula | C22H20O10 |
|---|---|
| Molecular Weight | 444.11 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.10565 |
| Heavy Atoms | 32 |
| Complexity | 948.0 |
Chemical Identifiers
| CAS Number | 59678-46-5 |
|---|---|
| SMILES | COC1=CC(=O)OC(=C1)[C@@H]2[C@@]3(C[C@@H]4C([C@]2([C@@H]([C@]3(C(=O)O4)O)C(=O)C5=CC=CC=C5)O)O)O |
| InChIKey | CTBBEXWJRAPJIZ-VKMWXFLYSA-N |
Product Overview
Enterocin (CAS 59678-46-5), with molecular formula C22H20O10 and molecular weight 444.11 g/mol. IUPAC: (1S,2S,3S,6R,8R,9S)-2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.03,8]decan-4-one.
Chemical Property Profile of Enterocin
Property Insights of Enterocin
The XLogP value of -0.9 indicates that Enterocin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 160.0 Ų indicates high polarity, suggesting Enterocin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Enterocin has 4 hydrogen bond donor(s) and 10 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 Enterocin?
The CAS number of Enterocin is 59678-46-5.
What is the molecular formula of Enterocin?
The molecular formula of Enterocin is C22H20O10.
What is the molecular weight of Enterocin?
The molecular weight of Enterocin is 444.11 g/mol.
Where can I buy Enterocin?
You can request a quote for Enterocin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Enterocin?
Yes, KEHONG BIO provides custom synthesis services for Enterocin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.