RefChem:476596
TL;DR: RefChem:476596 (CAS 6337-59-3) is a chemical compound with molecular formula C53H58O9 and molecular weight 838.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-4-[2-(4-hydroxy-3-methoxycarbonylnaphthalen-1-yl)-4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]-6-octadecoxynaphthalene-2-carboxylic acid
Also Known As: Phenol,2-cyclohexyl-,sodium salt (9CI), 2-Naphthalenecarboxylic acid, 1-hydroxy-4-[1-[4-hydroxy-3-(methoxycarbonyl)-1-naphthalenyl]-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-6-(octadecyloxy)-, 1-Hydroxy-4-(1-(4-hydroxy-3-(methoxycarbonyl)-1-naphthalenyl)-3-oxo-1H,3H-naphtho(1,8-cd)pyran-1-yl)-6-(octadecyloxy)-2-naphthalenecarboxylic acid, 1-hydroxy-4-{1-[4-hydroxy-3-(methoxycarbonyl)-1-naphthyl]-3-oxo-1h,3h-benzo[de]isochromen-1-yl}-6-(octadecyloxy)-2-naphthoic acid, 2-Naphthalenecarboxylic acid, 1-hydroxy-4-(1-(4-hydroxy-3-(methoxycarbonyl)-1-naphthalenyl)-3-oxo-1H,3H-naphtho(1,8-cd)pyran-1-yl)-6-(octadecyloxy)-
| Molecular Formula | C53H58O9 |
|---|---|
| Molecular Weight | 838.41 g/mol |
| LogP | 16.9 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 23 |
| Exact Mass | 838.4081 |
| Heavy Atoms | 62 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 6337-59-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC1=CC2=C(C=C(C(=C2C=C1)O)C(=O)O)C3(C4=CC=CC5=C4C(=CC=C5)C(=O)O3)C6=CC(=C(C7=CC=CC=C76)O)C(=O)OC |
| InChIKey | GQAKXAZXUYZQAI-UHFFFAOYSA-N |
Product Overview
RefChem:476596 (CAS 6337-59-3), with molecular formula C53H58O9 and molecular weight 838.41 g/mol. IUPAC: 1-hydroxy-4-[2-(4-hydroxy-3-methoxycarbonylnaphthalen-1-yl)-4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]-6-octadecoxynaphthalene-2-carboxylic acid.
Chemical Property Profile of RefChem:476596
Property Insights of RefChem:476596
The XLogP value of 16.9 indicates that RefChem:476596 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting RefChem:476596 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:476596 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:476596?
The CAS number of RefChem:476596 is 6337-59-3.
What is the molecular formula of RefChem:476596?
The molecular formula of RefChem:476596 is C53H58O9.
What is the molecular weight of RefChem:476596?
The molecular weight of RefChem:476596 is 838.41 g/mol.
Where can I buy RefChem:476596?
You can request a quote for RefChem:476596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:476596?
Yes, KEHONG BIO provides custom synthesis services for RefChem:476596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.