KS 501
TL;DR: KS 501 (CAS 120634-86-8) is a chemical compound with molecular formula C33H48O10 and molecular weight 604.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
KS 501
(3-heptyl-5-hydroxyphenyl) 2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoate
Also Known As: KS 501, (3-heptyl-5-hydroxyphenyl) 2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoate, (3-heptyl-5-hydroxyphenyl) 2-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoate, 3-Heptyl-5-hydroxyphenyl 2-heptyl-6-(hexofuranosyloxy)-4-hydroxybenzoate, Benzoic acid, 2-(beta-D-galactofuranosyloxy)-6-heptyl-4-hydroxy-, 3-heptyl-5-hydroxyphenyl ester
| Molecular Formula | C33H48O10 |
|---|---|
| Molecular Weight | 604.32 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 19 |
| Exact Mass | 604.32477 |
| Heavy Atoms | 43 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 120634-86-8 |
|---|---|
| SMILES | CCCCCCCC1=CC(=CC(=C1)OC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H](C(O3)[C@@H](CO)O)O)O)O)CCCCCCC)O |
| InChIKey | MPAXORHHSMKMHV-ZUSOEIMYSA-N |
Product Overview
KS 501 (CAS 120634-86-8), with molecular formula C33H48O10 and molecular weight 604.32 g/mol. IUPAC: (3-heptyl-5-hydroxyphenyl) 2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoate.
Chemical Property Profile of KS 501
Property Insights of KS 501
The XLogP value of 7.5 indicates that KS 501 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.0 Ų indicates high polarity, suggesting KS 501 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KS 501 has 6 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 KS 501?
The CAS number of KS 501 is 120634-86-8.
What is the molecular formula of KS 501?
The molecular formula of KS 501 is C33H48O10.
What is the molecular weight of KS 501?
The molecular weight of KS 501 is 604.32 g/mol.
Where can I buy KS 501?
You can request a quote for KS 501 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KS 501?
Yes, KEHONG BIO provides custom synthesis services for KS 501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.