CAS RN: 66640-93-5
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Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260302 | 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS66640-93-5
- Purity/Analytical Methods: >99.0%
66640-93-5 / 2,5-diamino-2-(difluoromethyl)pentanoic acid
Basic Information
CAS
66640-93-5
Multi CAS
Yes
Molecular Formula
C6F2H12N2O2
Molecular Weight
182.170000
Exact Mass
182.086684
InChI
InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)
InChIKey
VLCYCQAOQCDTCN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
38.85
TPSA
89.34
LogP / Solubility
WLOGP
-0.23
MLOGP
-0.2
XLogP3
-2.9
Consensus LogP
-1.11
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.26
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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