Labriformine
TL;DR: Labriformine (CAS 67187-35-3) is a chemical compound with molecular formula C31H39NO10S and molecular weight 617.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,5R,6S,9R,18S,23R,25R)-3,9,23-trihydroxy-1,5,20-trimethyl-6-(5-oxo-2H-furan-3-yl)spiro[11,17,19,24-tetraoxaheptacyclo[12.12.0.02,10.05,9.010,12.016,25.018,23]hexacosane-22,2'-5H-1,3-thiazole]-4-one
Also Known As: Labriformine, Labriformin, KST-1A7392, NCI60_016771, (1s,3ar,7as,11ar,12ar,13as,15ar)-3a,11a,14-trihydroxy-9,13a,15a-trimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-2,3,3a,4a,5,5a,6,6a,7a,9,10,11a,12a,13,13a,13b,14,15a-octadecahydro-5'h-spiro[cyclopenta[7,8]oxireno[8a,9]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxine-11,2'-[1,3]thiazol]-15(1h)-one
| Molecular Formula | C31H39NO10S |
|---|---|
| Molecular Weight | 617.23 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 1 |
| Exact Mass | 617.2295 |
| Heavy Atoms | 43 |
| Complexity | 1390.0 |
Chemical Identifiers
| CAS Number | 67187-35-3 |
|---|---|
| SMILES | CC1CC2([C@]3([C@@H](O1)OC4CC5CC6C7(O6)C([C@]5(C[C@H]4O3)C)C(C(=O)[C@]8([C@@]7(CC[C@H]8C9=CC(=O)OC9)O)C)O)O)N=CCS2 |
| InChIKey | BGKAKFOJZRBENJ-OWLIRKHKSA-N |
Product Overview
Labriformine (CAS 67187-35-3), with molecular formula C31H39NO10S and molecular weight 617.23 g/mol. IUPAC: (1S,5R,6S,9R,18S,23R,25R)-3,9,23-trihydroxy-1,5,20-trimethyl-6-(5-oxo-2H-furan-3-yl)spiro[11,17,19,24-tetraoxaheptacyclo[12.12.0.02,10.05,9.010,12.016,25.018,23]hexacosane-22,2'-5H-1,3-thiazole]-4-one.
Chemical Property Profile of Labriformine
Property Insights of Labriformine
The XLogP value of -0.5 indicates that Labriformine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 182.0 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 12 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 67187-35-3.
What is the molecular formula of Labriformine?
The molecular formula of Labriformine is C31H39NO10S.
What is the molecular weight of Labriformine?
The molecular weight of Labriformine is 617.23 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.