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CAS 89483-07-8 BOC-L-CYCLOPROPYLALANINE-DCHA molecular structure lightbox
CAS RN: 89483-07-8

BOC-L-CYCLOPROPYLALANINE-DCHA

  • Product code: SSC-201461
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 89483-07-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

89483-07-8 / N-cyclohexylcyclohexanamine;(2S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 89483-07-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89483-07-8
Multi CAS
Yes
Molecular Formula
C23H42N2O4
Molecular Weight
410.600000
Exact Mass
410.314458
InChI
InChI=1S/C12H23N.C11H19NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-11(2,3)16-10(15)12-8(9(13)14)6-7-4-5-7/h11-13H,1-10H2;7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t;8-/m.0/s1
InChIKey
MQINYDUVLDJIAC-WDBKTSHHSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.91
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
115.02
TPSA
87.66

LogP / Solubility

WLOGP
5.01
MLOGP
4.43
XLogP3
5.01
Consensus LogP
4.82
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.2
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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