4-O-Carboxymethylascochlorin
TL;DR: 4-O-Carboxymethylascochlorin (CAS 84435-25-6) is a chemical compound with molecular formula C25H31ClO6 and molecular weight 462.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloro-4-formyl-5-hydroxy-3-methyl-6-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]phenoxy]acetic acid
Also Known As: 4-O-Carboxymethylascochlorin, AS 6, 2-[2-chloro-4-formyl-5-hydroxy-3-methyl-6-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]phenoxy]acetic acid, ACETIC ACID, (2-CHLORO-4-FORMYL-5-HYDROXY-3-METHYL-6-((2E,4E)-3-METHYL-5-((1R,2R,6R)-1,2,6-TRIMETHYL-3-OXOCYCLOHEXYL)-2,4-PENTADIENYL)PHENOXY)-, ACETIC ACID, (2-CHLORO-4-FORMYL-5-HYDROXY-3-METHYL-6-(3-METHYL-5-(1,2,6-TRIMETHYL-3-OXOCYCLOHEXYL)-2,4-PENTADIENYL)PHENOXY)-, (1R-(1.ALPHA.(2E,4E),2.BETA.,6.BETA.))-
| Molecular Formula | C25H31ClO6 |
|---|---|
| Molecular Weight | 462.18 g/mol |
| LogP | 5.31632 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.1809 |
| Heavy Atoms | 32 |
| Complexity | 977.3796 |
Chemical Identifiers
| CAS Number | 84435-25-6 |
|---|---|
| SMILES | C[C@@H]1CCC(=O)[C@@H]([C@@]1(C)/C=C/C(=C/CC2=C(C(=C(C(=C2OCC(=O)O)Cl)C)C=O)O)/C)C |
Product Overview
4-O-Carboxymethylascochlorin (CAS 84435-25-6), with molecular formula C25H31ClO6 and molecular weight 462.18 g/mol. IUPAC: 2-[2-chloro-4-formyl-5-hydroxy-3-methyl-6-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]phenoxy]acetic acid.
Chemical Property Profile of 4-O-Carboxymethylascochlorin
Property Insights of 4-O-Carboxymethylascochlorin
The XLogP value of 5.31632 indicates that 4-O-Carboxymethylascochlorin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-Carboxymethylascochlorin. Following Lipinski's Rule of Five, 4-O-Carboxymethylascochlorin has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-O-Carboxymethylascochlorin?
The CAS number of 4-O-Carboxymethylascochlorin is 84435-25-6.
What is the molecular formula of 4-O-Carboxymethylascochlorin?
The molecular formula of 4-O-Carboxymethylascochlorin is C25H31ClO6.
What is the molecular weight of 4-O-Carboxymethylascochlorin?
The molecular weight of 4-O-Carboxymethylascochlorin is 462.18 g/mol.
Where can I buy 4-O-Carboxymethylascochlorin?
You can request a quote for 4-O-Carboxymethylascochlorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-Carboxymethylascochlorin?
Yes, KEHONG BIO provides custom synthesis services for 4-O-Carboxymethylascochlorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.