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CAS 881690-67-1 (S)-N-BOC-2-FURYLALANINE TERT-BUTYLAMINE molecular structure lightbox
CAS RN: 881690-67-1

(S)-N-BOC-2-FURYLALANINE TERT-BUTYLAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251006 50mg / 100mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS881690-67-1
  • Purity/Analytical Methods: >99.0%
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881690-67-1 / (2S)-2-amino-N-tert-butyl-3-(furan-2-yl)propanamide

Standard CAS: 881690-67-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
881690-67-1
Multi CAS
Yes
Molecular Formula
C11H18N2O2
Molecular Weight
210.270000
Exact Mass
210.136828
InChI
InChI=1S/C12H17NO5.C4H11N/c1-8(10(14)15)13(9-6-5-7-17-9)11(16)18-12(2,3)4;1-4(2,3)5/h5-8H,1-4H3,(H,14,15);5H2,1-3H3/t8-;/m0./s1
InChIKey
HJGJBYMJGPIHOB-QRPNPIFTSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.28
TPSA
68.26

LogP / Solubility

WLOGP
1.06
MLOGP
0.94
XLogP3
0.7
Consensus LogP
0.9
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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