KS 502
TL;DR: KS 502 (CAS 120634-85-7) is a chemical compound with molecular formula C34H48O12 and molecular weight 648.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
KS 502
4-[2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoyl]oxy-2-heptyl-6-hydroxybenzoic acid
Also Known As: KS 502, 4-[2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoyl]oxy-2-heptyl-6-hydroxybenzoic acid, 4-[2-[(2S,3R,4R,5S)-5-[(1R)-1,2-Dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoyl]oxy-2-heptyl-6-hydroxybenzoic acid, Benzoic acid, 2-(beta-D-galactofuranosyloxy)-6-heptyl-4-hydroxy-, 4-carboxy-3-heptyl-5-hydroxyphenyl ester, 2-Heptyl-4-{[2-heptyl-6-(hexofuranosyloxy)-4-hydroxybenzoyl]oxy}-6-hydroxybenzoic acid
| Molecular Formula | C34H48O12 |
|---|---|
| Molecular Weight | 648.31 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 20 |
| Exact Mass | 648.3146 |
| Heavy Atoms | 46 |
| Complexity | 903.0 |
Chemical Identifiers
| CAS Number | 120634-85-7 |
|---|---|
| SMILES | CCCCCCCC1=C(C(=CC(=C1)O)O[C@H]2[C@@H]([C@H](C(O2)[C@@H](CO)O)O)O)C(=O)OC3=CC(=C(C(=C3)O)C(=O)O)CCCCCCC |
| InChIKey | DXFBFWMLNIWYDA-CEXITYCRSA-N |
Product Overview
KS 502 (CAS 120634-85-7), with molecular formula C34H48O12 and molecular weight 648.31 g/mol. IUPAC: 4-[2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoyl]oxy-2-heptyl-6-hydroxybenzoic acid.
Chemical Property Profile of KS 502
Property Insights of KS 502
The XLogP value of 7.6 indicates that KS 502 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 203.0 Ų indicates high polarity, suggesting KS 502 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KS 502 has 7 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 KS 502?
The CAS number of KS 502 is 120634-85-7.
What is the molecular formula of KS 502?
The molecular formula of KS 502 is C34H48O12.
What is the molecular weight of KS 502?
The molecular weight of KS 502 is 648.31 g/mol.
Where can I buy KS 502?
You can request a quote for KS 502 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KS 502?
Yes, KEHONG BIO provides custom synthesis services for KS 502 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.