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Cryptochlorogenic acid [M+H]+
TL;DR: Cryptochlorogenic acid [M+H]+ (CAS 327161-03-5) is a chemical compound with molecular formula C16H18O9 and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid
Also Known As: 4-O-Caffeoylquinic acid, CYCLOHEXANECARBOXYLIC ACID, Cryptochlorogenic acid [M+H]+, J1.012.715G, Caffeoyl quinic acid (isomer of 831, 832, 833)
| Molecular Formula | C16H18O9 |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | -0.6459 |
| Topological Polar Surface Area | 164.75 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.0951 |
| Heavy Atoms | 25 |
| Complexity | 684.8458 |
Chemical Identifiers
| CAS Number | 327161-03-5 |
|---|---|
| SMILES | C1C(C(C(CC1(C(=O)O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O |
Product Overview
Cryptochlorogenic acid [M+H]+ (CAS 327161-03-5), with molecular formula C16H18O9 and molecular weight 354.10 g/mol. IUPAC: 4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid.
Chemical Property Profile of Cryptochlorogenic acid [M+H]+
Property Insights of Cryptochlorogenic acid [M+H]+
The XLogP value of -0.6459 indicates that Cryptochlorogenic acid [M+H]+ is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 164.75 Ų indicates high polarity, suggesting Cryptochlorogenic acid [M+H]+ may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cryptochlorogenic acid [M+H]+ has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cryptochlorogenic acid [M+H]+?
The CAS number of Cryptochlorogenic acid [M+H]+ is 327161-03-5.
What is the molecular formula of Cryptochlorogenic acid [M+H]+?
The molecular formula of Cryptochlorogenic acid [M+H]+ is C16H18O9.
What is the molecular weight of Cryptochlorogenic acid [M+H]+?
The molecular weight of Cryptochlorogenic acid [M+H]+ is 354.10 g/mol.
Where can I buy Cryptochlorogenic acid [M+H]+?
You can request a quote for Cryptochlorogenic acid [M+H]+ directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cryptochlorogenic acid [M+H]+?
Yes, KEHONG BIO provides custom synthesis services for Cryptochlorogenic acid [M+H]+ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.