CAS RN: 1078-61-1
3,4-Dihydroxyhydrocinnamic Acid
Product Availability
Choose a grade to view its available package options.
10 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250411 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250109 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250313 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20260614 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260513 | 5g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260514 | 100g | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20260309 | 1g | In stock | Shanghai, Shandong, Chongqing, Hebei | Inquiry |
| Batchno.20251010 | 25g | In stock | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
| Batchno.20260403 | 500g | In stock | Shandong | Inquiry |
| Batchno.20260505 | 5g | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry |
- Product code: SSC-009179
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
1078-61-1 / 3-(3,4-dihydroxyphenyl)propanoic acid
Dihydrocaffeic acid | 3,4-Dihydroxyphenylpropionic acid | Benzenepropanoic acid, 3,4-dihydroxy-
Basic Information
CAS
1078-61-1
Multi CAS
Yes
Molecular Formula
C9H10O4
Molecular Weight
182.170000
Exact Mass
182.057909
SMILES
C1=CC(=C(C=C1CCC(=O)O)O)O
InChI
InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)
InChIKey
DZAUWHJDUNRCTF-UHFFFAOYSA-N
Synonyms
Dihydrocaffeic acid
3,4-Dihydroxyphenylpropionic acid
Benzenepropanoic acid, 3,4-dihydroxy-
3,4-Dihydroxybenzenepropanoic acid
Hydrocinnamic acid, 3,4-dihydroxy-
Physical Properties
Melting Point
136 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
45.73
TPSA
77.76
LogP / Solubility
WLOGP
1.11
MLOGP
0.98
XLogP3
-0.5
Consensus LogP
0.53
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
