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CAS 1174494-98-4 (R)-2-amino-4,4-dimethylpentan-1-ol molecular structure lightbox
CAS RN: 1174494-98-4

(R)-2-amino-4,4-dimethylpentan-1-ol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250122 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1174494-98-4
  • Purity/Analytical Methods: >99.0%
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1174494-98-4 / (2R)-2-amino-4,4-dimethylpentan-1-ol

2-amino-4,4-dimethylpentan-1-ol | RefChem:463982 | 993-638-2

Standard CAS: 1174494-98-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1174494-98-4
Multi CAS
Yes
Molecular Formula
C7H17NO
Molecular Weight
131.220000
Exact Mass
131.131014
SMILES
CC(C)(C)C[C@H](CO)N
InChI
InChI=1S/C7H17NO/c1-7(2,3)4-6(8)5-9/h6,9H,4-5,8H2,1-3H3/t6-/m1/s1
InChIKey
OCJXWXGVDQCFJW-ZCFIWIBFSA-N
Synonyms
2-amino-4,4-dimethylpentan-1-ol RefChem:463982 993-638-2 4-Dimethyl-2-Amino-Pentanol SCHEMBL1764600

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.13
TPSA
46.25

LogP / Solubility

WLOGP
0.74
MLOGP
0.64
XLogP3
0.8
Consensus LogP
0.73
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-2.99

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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