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CAS 1336411-15-4 (S)-N-Boc-2-aMinobutylaMine molecular structure lightbox
CAS RN: 1336411-15-4

(S)-N-Boc-2-aMinobutylaMine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260118 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1336411-15-4
  • Purity/Analytical Methods: >99.0%
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1336411-15-4 / tert-butyl N-[(2S)-2-aminobutyl]carbamate

Standard CAS: 1336411-15-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1336411-15-4
Multi CAS
No
Molecular Formula
C9H20N2O2
Molecular Weight
188.270000
Exact Mass
188.152478
SMILES
CC[C@@H](CNC(=O)OC(C)(C)C)N
InChI
InChI=1S/C9H20N2O2/c1-5-7(10)6-11-8(12)13-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12)/t7-/m0/s1
InChIKey
RRCIEECLAFGKTM-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.5
TPSA
64.35

LogP / Solubility

WLOGP
1.25
MLOGP
1.1
XLogP3
0.9
Consensus LogP
1.08
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately 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)
-2.98

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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