二氢咖啡酸
TL;DR: 二氢咖啡酸 (CAS 71693-95-3) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氢咖啡酸
3-(3,4-dihydroxyphenyl)propanoic acid
Also Known As: Dihydrocaffeic acid, Hydrocaffeic acid, 3-(3,4-Dihydroxyphenyl)propionic acid, 3,4-Dihydroxyhydrocinnamic acid, 3-(3,4-Dihydroxyphenyl)propanoic acid
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 71693-95-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1CCC(=O)O)O)O |
| InChIKey | DZAUWHJDUNRCTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氢咖啡酸 (CAS 71693-95-3), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: 3-(3,4-dihydroxyphenyl)propanoic acid.
Chemical Property Profile of 二氢咖啡酸
Property Insights of 二氢咖啡酸
The XLogP value of -0.5 indicates that 二氢咖啡酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 二氢咖啡酸. Following Lipinski's Rule of Five, 二氢咖啡酸 has 3 hydrogen bond donor(s) and 4 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 二氢咖啡酸?
The CAS number of 二氢咖啡酸 is 71693-95-3.
What is the molecular formula of 二氢咖啡酸?
The molecular formula of 二氢咖啡酸 is C9H10O4.
What is the molecular weight of 二氢咖啡酸?
The molecular weight of 二氢咖啡酸 is 182.06 g/mol.
Where can I buy 二氢咖啡酸?
You can request a quote for 二氢咖啡酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氢咖啡酸?
Yes, KEHONG BIO provides custom synthesis services for 二氢咖啡酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.