CJ-21,164
TL;DR: CJ-21,164 (CAS 416845-79-9) is a chemical compound with molecular formula C38H37ClO14 and molecular weight 752.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[3-chloro-2-hydroxy-4-(1-hydroxy-2-methoxy-3,6-dimethyl-4-oxocyclohexa-2,5-diene-1-carbonyl)oxy-5,6-dimethylbenzoyl]oxy-2-hydroxy-3,6-dimethylbenzoyl]oxy-6-methoxy-2,3-dimethylbenzoic acid
Also Known As: CJ-21,164, CJ 21164, CJ 21,164, J1.698.786G, 4-(4-(3-chloro-2-hydroxy-4-(1-hydroxy-2-methoxy-3,6-dimethyl-4-oxocyclohexa-2,5-diene-1-carbonyl)oxy-5,6-dimethylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoyl)oxy-6-methoxy-2,3-dimethylbenzoic acid
| Molecular Formula | C38H37ClO14 |
|---|---|
| Molecular Weight | 752.19 g/mol |
| LogP | 5.83282 |
| Topological Polar Surface Area | 212.42 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 752.1872 |
| Heavy Atoms | 53 |
| Complexity | 2181.6555 |
Chemical Identifiers
| CAS Number | 416845-79-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C(=O)OC2=CC(=C(C(=C2C)C)C(=O)O)OC)O)C)OC(=O)C3=C(C(=C(C(=C3C)C)OC(=O)C4(C(=CC(=O)C(=C4OC)C)C)O)Cl)O |
Product Overview
CJ-21,164 (CAS 416845-79-9), with molecular formula C38H37ClO14 and molecular weight 752.19 g/mol. IUPAC: 4-[4-[3-chloro-2-hydroxy-4-(1-hydroxy-2-methoxy-3,6-dimethyl-4-oxocyclohexa-2,5-diene-1-carbonyl)oxy-5,6-dimethylbenzoyl]oxy-2-hydroxy-3,6-dimethylbenzoyl]oxy-6-methoxy-2,3-dimethylbenzoic acid.
Chemical Property Profile of CJ-21,164
Property Insights of CJ-21,164
The XLogP value of 5.83282 indicates that CJ-21,164 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 212.42 Ų indicates high polarity, suggesting CJ-21,164 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CJ-21,164 has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CJ-21,164?
The CAS number of CJ-21,164 is 416845-79-9.
What is the molecular formula of CJ-21,164?
The molecular formula of CJ-21,164 is C38H37ClO14.
What is the molecular weight of CJ-21,164?
The molecular weight of CJ-21,164 is 752.19 g/mol.
Where can I buy CJ-21,164?
You can request a quote for CJ-21,164 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CJ-21,164?
Yes, KEHONG BIO provides custom synthesis services for CJ-21,164 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.