Isolasalocid A
TL;DR: Isolasalocid A (CAS 54156-67-1) is a chemical compound with molecular formula C34H54O8 and molecular weight 590.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5S)-5-ethyl-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
Also Known As: Isolasalocid A, 5-19-08-00287 (Beilstein Handbook Reference), 6-[(3R,4S,5S,7R)-7-[(2S,2 R,4S,5S,5 S)-2,5 -Diethyloctahydro-5 -[(R)-1-hydroxyethyl]-4-methyl[2,2 -bifuran]-5-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid, 6-[(3R,4S,5S,7R)-7-[(2S,2'R,4S,5S,5'S)-2,5'-diethyl-5'-[(1R)-1-hydroxyethyl]-4-methyl-[2,2'-bioxolan]-5-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid, 6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5S)-5-ethyl-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
| Molecular Formula | C34H54O8 |
|---|---|
| Molecular Weight | 590.38 g/mol |
| LogP | 5.84222 |
| Topological Polar Surface Area | 133.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 590.3819 |
| Heavy Atoms | 42 |
| Complexity | 1101.258 |
Chemical Identifiers
| CAS Number | 54156-67-1 |
|---|---|
| SMILES | CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@@](O2)(CC)[C@@H](C)O)C)C(=O)[C@@H](C)[C@H]([C@H](C)CCC3=C(C(=C(C=C3)C)O)C(=O)O)O |
Product Overview
Isolasalocid A (CAS 54156-67-1), with molecular formula C34H54O8 and molecular weight 590.38 g/mol. IUPAC: 6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5S)-5-ethyl-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid.
Chemical Property Profile of Isolasalocid A
Property Insights of Isolasalocid A
The XLogP value of 5.84222 indicates that Isolasalocid A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Isolasalocid A. Following Lipinski's Rule of Five, Isolasalocid A has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isolasalocid A?
The CAS number of Isolasalocid A is 54156-67-1.
What is the molecular formula of Isolasalocid A?
The molecular formula of Isolasalocid A is C34H54O8.
What is the molecular weight of Isolasalocid A?
The molecular weight of Isolasalocid A is 590.38 g/mol.
Where can I buy Isolasalocid A?
You can request a quote for Isolasalocid A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isolasalocid A?
Yes, KEHONG BIO provides custom synthesis services for Isolasalocid A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.