RefChem:476637
TL;DR: RefChem:476637 (CAS 6337-58-2) is a chemical compound with molecular formula C52H56O9 and molecular weight 824.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(3-carboxy-4-hydroxynaphthalen-1-yl)-4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]-1-hydroxy-6-octadecoxynaphthalene-2-carboxylic acid
Also Known As: N,N-Dibenzyl-m-toluidine, Phenol,2-cyclohexyl-,sodium salt (9CI), 2-Naphthalenecarboxylic acid, 4-[1-(3-carboxy-4-hydroxy-1-naphthalenyl)-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1-hydroxy-6-(octadecyloxy)-, 4-(1-(3-Carboxy-4-hydroxy-1-naphthalenyl)-3-oxo-1H,3H-naphtho(1,8-cd)pyran-1-yl)-1-hydroxy-6-(octadecyloxy)-2-naphthalenecarboxylic acid, 2-Naphthalenecarboxylic acid, 4-(1-(3-carboxy-4-hydroxy-1-naphthalenyl)-3-oxo-1H,3H-naphtho(1,8-cd)pyran-1-yl)-1-hydroxy-6-(octadecyloxy)-
| Molecular Formula | C52H56O9 |
|---|---|
| Molecular Weight | 824.39 g/mol |
| LogP | 16.5 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 22 |
| Exact Mass | 824.39246 |
| Heavy Atoms | 61 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 6337-58-2 |
|---|---|
| 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)O |
| InChIKey | AANWBJLLAXURNB-UHFFFAOYSA-N |
Product Overview
RefChem:476637 (CAS 6337-58-2), with molecular formula C52H56O9 and molecular weight 824.39 g/mol. IUPAC: 4-[2-(3-carboxy-4-hydroxynaphthalen-1-yl)-4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]-1-hydroxy-6-octadecoxynaphthalene-2-carboxylic acid.
Chemical Property Profile of RefChem:476637
Property Insights of RefChem:476637
The XLogP value of 16.5 indicates that RefChem:476637 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting RefChem:476637 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:476637 has 4 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:476637?
The CAS number of RefChem:476637 is 6337-58-2.
What is the molecular formula of RefChem:476637?
The molecular formula of RefChem:476637 is C52H56O9.
What is the molecular weight of RefChem:476637?
The molecular weight of RefChem:476637 is 824.39 g/mol.
Where can I buy RefChem:476637?
You can request a quote for RefChem:476637 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:476637?
Yes, KEHONG BIO provides custom synthesis services for RefChem:476637 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.