![CAS 625110-37-4 2-Pyrrolidinecarbonitrile, 4-fluoro-1-[2-[(2-hydroxy-1,1-dimethylethyl)amino]acetyl]-, (2S,4S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/625110-37-4.gif)
CAS RN: 625110-37-4
2-Pyrrolidinecarbonitrile, 4-fluoro-1-[2-[(2-hydroxy-1,1-dimethylethyl)amino]acetyl]-, (2S,4S)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260322 | 5mg / 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS625110-37-4
- Purity/Analytical Methods: >99.0%
625110-37-4 / (2S,4S)-4-fluoro-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile
Basic Information
CAS
625110-37-4
Multi CAS
No
Molecular Formula
C11FH18N3O2
Molecular Weight
243.280000
Exact Mass
243.138305
InChI
InChI=1S/C11H18FN3O2/c1-11(2,7-16)14-5-10(17)15-6-8(12)3-9(15)4-13/h8-9,14,16H,3,5-7H2,1-2H3/t8-,9-/m0/s1
InChIKey
XJGUWEAPKPNAID-IUCAKERBSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.79
TPSA
76.36
LogP / Solubility
WLOGP
-0.19
MLOGP
-0.16
XLogP3
-0.4
Consensus LogP
-0.25
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
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)
-4.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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