CAS RN: 320-77-4
3-carboxy-2,3-dideoxy-1-hydroxypropan-1,2,3-tricarboxylic acid
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.20251120 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS320-77-4
- Purity/Analytical Methods: >99.0%
320-77-4 / 1-hydroxypropane-1,2,3-tricarboxylic acid
Basic Information
CAS
320-77-4
Multi CAS
Yes
Molecular Formula
C6H8O7
Molecular Weight
192.120000
Exact Mass
192.027003
InChI
InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)
InChIKey
ODBLHEXUDAPZAU-UHFFFAOYSA-N
Physical Properties
Melting Point
162 - 165 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
4
Molar refractivity
37.02
TPSA
132.13
LogP / Solubility
WLOGP
-1.39
MLOGP
-1.23
XLogP3
-1.8
Consensus LogP
-1.47
Log S (ESOL)
0.18
Class (ESOL)
Highly soluble
Log S (Ali)
-0.13
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.35
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)
-4.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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