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CAS 62965-57-5 ButanaMide, 2-aMino-3,3-diMethyl-, (2S)- molecular structure lightbox
CAS RN: 62965-57-5

ButanaMide, 2-aMino-3,3-diMethyl-, (2S)-

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250920 1g / 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250204 1g / 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS62965-57-5
  • Purity/Analytical Methods: >99.0%
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62965-57-5 / 2-amino-3,3-dimethylbutanamide

Standard CAS: 62965-57-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62965-57-5
Multi CAS
Yes
Molecular Formula
C6H14N2O
Molecular Weight
130.190000
Exact Mass
130.110613
InChI
InChI=1S/C6H14N2O/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H2,8,9)/t4-/m1/s1
InChIKey
QCVCCWSPZIUXEA-SCSAIBSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.62
TPSA
69.11

LogP / Solubility

WLOGP
-0.15
MLOGP
-0.14
Consensus LogP
-0.1
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.52
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
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)
-3.62

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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