咖啡酰酒石酸
TL;DR: 咖啡酰酒石酸 (CAS 1234-09-9) is a chemical compound with molecular formula C13H12O9 and molecular weight 312.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
咖啡酰酒石酸
(2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid
Also Known As: caftaric acid, trans-caftaric acid, Caffeoyltartaric acid, Caffeoyl tartaric acid, Monocaffeoyl tartrate
| Molecular Formula | C13H12O9 |
|---|---|
| Molecular Weight | 312.05 g/mol |
| LogP | -0.4471 |
| Topological Polar Surface Area | 161.59 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.04813 |
| Heavy Atoms | 22 |
| Complexity | 619.9368 |
Chemical Identifiers
| CAS Number | 1234-09-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=C/C(=O)O[C@H]([C@H](C(=O)O)O)C(=O)O)O)O |
Product Overview
咖啡酰酒石酸 (CAS 1234-09-9), with molecular formula C13H12O9 and molecular weight 312.05 g/mol. IUPAC: (2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid.
Chemical Property Profile of 咖啡酰酒石酸
Property Insights of 咖啡酰酒石酸
The XLogP value of -0.4471 indicates that 咖啡酰酒石酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.59 Ų indicates high polarity, suggesting 咖啡酰酒石酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 咖啡酰酒石酸 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 咖啡酰酒石酸?
The CAS number of 咖啡酰酒石酸 is 1234-09-9.
What is the molecular formula of 咖啡酰酒石酸?
The molecular formula of 咖啡酰酒石酸 is C13H12O9.
What is the molecular weight of 咖啡酰酒石酸?
The molecular weight of 咖啡酰酒石酸 is 312.05 g/mol.
Where can I buy 咖啡酰酒石酸?
You can request a quote for 咖啡酰酒石酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 咖啡酰酒石酸?
Yes, KEHONG BIO provides custom synthesis services for 咖啡酰酒石酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.