CAS RN: 945723-36-4
(trans-4-methylpyrrolidin-3-yl)methanol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260329 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS945723-36-4
- Purity/Analytical Methods: >99.0%
945723-36-4 / (4-methylpyrrolidin-3-yl)methanol
Basic Information
CAS
945723-36-4
Multi CAS
Yes
Molecular Formula
C6H13NO
Molecular Weight
115.170000
Exact Mass
115.099714
InChI
InChI=1S/C6H13NO/c1-5-2-7-3-6(5)4-8/h5-8H,2-4H2,1H3/t5-,6+/m0/s1
InChIKey
YOUDCFZQKXTNCC-NTSWFWBYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.61
TPSA
32.26
LogP / Solubility
WLOGP
-0.17
MLOGP
-0.16
XLogP3
-0.1
Consensus LogP
-0.14
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.39
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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