CAS RN: 32780-32-8
PT-141 Acetate
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.20250427 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS32780-32-8
- Purity/Analytical Methods: >99.0%
32780-32-8 / (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol
Basic Information
CAS
32780-32-8
Multi CAS
Yes
Molecular Formula
C7H15NO4
Molecular Weight
177.200000
Exact Mass
177.100108
InChI
InChI=1S/C7H15NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h3-7,9-12H,1-2,8H2/t3-,4+,5-,6+,7+/m1/s1
InChIKey
GSQYAWMREAXBHF-UOYQFSTFSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
5
Molar refractivity
41.19
TPSA
106.94
LogP / Solubility
WLOGP
-2.59
MLOGP
-2.28
XLogP3
-2.2
Consensus LogP
-2.36
Log S (ESOL)
0.76
Class (ESOL)
Highly soluble
Log S (Ali)
0.86
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.22
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)
-5.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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