CAS RN: 906-33-2
Neochlorogenic Acid
Product Availability
Choose a grade to view its available package options.
10 package records9 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251102 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250625 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260402 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250814 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260126 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250805 | 50mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250623 | 10mg | In stock | Shanghai | Inquiry |
- Product code: ICTN1155
- Purity/Analytical Methods: >98.0%(HPLC)
906-33-2 / (1R,3R,4S,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Basic Information
CAS
906-33-2
Multi CAS
Yes
Molecular Formula
C16H18O9
Molecular Weight
354.310000
Exact Mass
354.095082
InChI
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/t11-,12-,14+,16-/m1/s1
InChIKey
CWVRJTMFETXNAD-UNIGVISCSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
6
Molar refractivity
82.52
TPSA
164.75
LogP / Solubility
WLOGP
-0.65
MLOGP
-0.55
XLogP3
-0.4
Consensus LogP
-0.53
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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