綠原酸
TL;DR: 綠原酸 (CAS 327-97-9) 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.
綠原酸
(1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Also Known As: CHLOROGENIC ACID, Chlorogenicacid, Heriguard, Isochlorogenic acid, 3-Caffeoylquinic acid
| Molecular Formula | C16H18O9 |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.0951 |
| Heavy Atoms | 25 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 327-97-9 |
|---|---|
| SMILES | C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
| InChIKey | CWVRJTMFETXNAD-NCZKRNLISA-N |
Product Overview
綠原酸 (CAS 327-97-9), with molecular formula C16H18O9 and molecular weight 354.10 g/mol. IUPAC: (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid.
Chemical Property Profile of 綠原酸
Property Insights of 綠原酸
The XLogP value of -0.4 indicates that 綠原酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 165.0 Ų indicates high polarity, suggesting 綠原酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 綠原酸 has 6 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 綠原酸?
The CAS number of 綠原酸 is 327-97-9.
What is the molecular formula of 綠原酸?
The molecular formula of 綠原酸 is C16H18O9.
What is the molecular weight of 綠原酸?
The molecular weight of 綠原酸 is 354.10 g/mol.
Where can I buy 綠原酸?
You can request a quote for 綠原酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 綠原酸?
Yes, KEHONG BIO provides custom synthesis services for 綠原酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.