Labriformine
TL;DR: Labriformine (CAS 66419-07-6) is a chemical compound with molecular formula C31H43NO8S and molecular weight 589.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1R,3R,5S,7R,12R,14S,18R,19R,22S)-8,10,22-trihydroxy-7,14,18-trimethylspiro[4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-9,2'-5H-1,3-thiazole]-19-yl]-2H-furan-5-one
Also Known As: Labriformin, Labriformine, Card-20(22)-enolide, 2,3-((6,10-dihydroxy-9-methyl-8-oxa-1-thia-4-azaspiro(4.5)dec-3-ene-6,7-diyl)bis(oxy))-14-hydroxy-, (2-alpha(7S,9R),3-beta,5-alpha)-, RefChem:1088315
| Molecular Formula | C31H43NO8S |
|---|---|
| Molecular Weight | 589.27 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 589.27094 |
| Heavy Atoms | 41 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 66419-07-6 |
|---|---|
| SMILES | C[C@@H]1C(C2(C3([C@@H](O1)O[C@@H]4C[C@H]5CCC6C([C@]5(C[C@H]4O3)C)CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)N=CCS2)O |
| InChIKey | OJDKVUZIXKHTDF-RBJXCWCOSA-N |
Product Overview
Labriformine (CAS 66419-07-6), with molecular formula C31H43NO8S and molecular weight 589.27 g/mol. IUPAC: 3-[(1R,3R,5S,7R,12R,14S,18R,19R,22S)-8,10,22-trihydroxy-7,14,18-trimethylspiro[4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-9,2'-5H-1,3-thiazole]-19-yl]-2H-furan-5-one.
Chemical Property Profile of Labriformine
Property Insights of Labriformine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Labriformine. The TPSA of 152.0 Ų indicates high polarity, suggesting Labriformine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Labriformine has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Labriformine?
The CAS number of Labriformine is 66419-07-6.
What is the molecular formula of Labriformine?
The molecular formula of Labriformine is C31H43NO8S.
What is the molecular weight of Labriformine?
The molecular weight of Labriformine is 589.27 g/mol.
Where can I buy Labriformine?
You can request a quote for Labriformine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Labriformine?
Yes, KEHONG BIO provides custom synthesis services for Labriformine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.