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CAS 7632-50-0 2-Hydroxy-1,2,3-propanetricarboxylic acid/ammonia,(1:x) molecular structure lightbox
CAS RN: 7632-50-0

2-Hydroxy-1,2,3-propanetricarboxylic acid/ammonia,(1:x)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250101 100g / 250g / 1kg Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei Inquiry
  • Product code: starshine_CAS7632-50-0
  • Purity/Analytical Methods: >99.0%
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7632-50-0 / azanium 3-carboxy-3,5-dihydroxy-5-oxopentanoate

Standard CAS: 7632-50-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7632-50-0
Multi CAS
Yes
Molecular Formula
C6H11NO7
Molecular Weight
209.150000
Exact Mass
209.053552
InChI
InChI=1S/C6H8O7.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3
InChIKey
BWKOZPVPARTQIV-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
4
Molar refractivity
40.45
TPSA
171.46

LogP / Solubility

WLOGP
-2.21
MLOGP
-1.94
XLogP3
-2.21
Consensus LogP
-2.12
Log S (ESOL)
0.58
Class (ESOL)
Highly soluble
Log S (Ali)
0.32
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.21
Class (SILICOS-IT)
Highly 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)
-5.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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