新绿原酸
TL;DR: 新绿原酸 (CAS 906-33-2) 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.
新绿原酸
(1R,3R,4S,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Also Known As: Neochlorogenic 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 | 906-33-2 |
|---|---|
| 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-UNIGVISCSA-N |
Product Overview
新绿原酸 (CAS 906-33-2), with molecular formula C16H18O9 and molecular weight 354.10 g/mol. IUPAC: (1R,3R,4S,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid.
Chemical Property Profile of 新绿原酸
Property Insights of 新绿原酸
The XLogP value of -0.4 indicates that 新绿原酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 165.0 Ų indicates high polarity, suggesting 新绿原酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 新绿原酸 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 新绿原酸?
The CAS number of 新绿原酸 is 906-33-2.
What is the molecular formula of 新绿原酸?
The molecular formula of 新绿原酸 is C16H18O9.
What is the molecular weight of 新绿原酸?
The molecular weight of 新绿原酸 is 354.10 g/mol.
Where can I buy 新绿原酸?
You can request a quote for 新绿原酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 新绿原酸?
Yes, KEHONG BIO provides custom synthesis services for 新绿原酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.