CAS RN: 71183-66-9
DL-threo-2-Methylisocitrate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260117 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS71183-66-9
- Purity/Analytical Methods: >99.0%
71183-66-9 / (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid
Basic Information
CAS
71183-66-9
Multi CAS
Yes
Molecular Formula
C7H10O7
Molecular Weight
206.150000
Exact Mass
206.042653
InChI
InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t3-,7-/m1/s1
InChIKey
HHKPKXCSHMJWCF-WVBDSBKLSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
4
Molar refractivity
41.64
TPSA
132.13
LogP / Solubility
WLOGP
-1
MLOGP
-0.88
XLogP3
-1.6
Consensus LogP
-1.16
Log S (ESOL)
-0.16
Class (ESOL)
Very soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.77
Class (SILICOS-IT)
Very 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)
-4.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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