[email protected]
CAS 70831-56-0 Chicoric Acid molecular structure lightbox
CAS RN: 70831-56-0

Chicoric Acid

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260503 5mg / 20mg / 50mg / 100mg Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260311 10mg In stock Shanghai Inquiry
Batchno.20251202 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20260417 25mg In stock Shanghai Inquiry
Batchno.20260307 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260319 20mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260218 1ml In stock Inquiry
  • Product code: ICTC3450
  • Purity/Analytical Methods: >98.0%(T)
GET A QUOTE

70831-56-0 / (2R,3R)-2,3-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]butanedioic acid

Standard CAS: 70831-56-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70831-56-0
Multi CAS
Yes
Molecular Formula
C22H18O12
Molecular Weight
474.400000
Exact Mass
474.079826
InChI
InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/t19-,20-/m1/s1
InChIKey
YDDGKXBLOXEEMN-WOJBJXKFSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
9
H-bond acceptors
10
H-bond donors
6
Molar refractivity
112.64
TPSA
208.12

LogP / Solubility

WLOGP
1.23
MLOGP
1.11
XLogP3
2
Consensus LogP
1.45
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us