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CAS 80696-30-6 D-NORVALINOL molecular structure lightbox
CAS RN: 80696-30-6

D-NORVALINOL

  • Product code: SSC-189401
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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: 5g
  • Available purity: ≥97%
  • 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 80696-30-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

80696-30-6 / 2-aminopentan-1-ol

Standard CAS: 80696-30-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80696-30-6
Multi CAS
Yes
Molecular Formula
C5H13NO
Molecular Weight
103.160000
Exact Mass
103.099714
InChI
InChI=1S/C5H13NO/c1-2-3-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m1/s1
InChIKey
ULAXUFGARZZKTK-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
29.97
TPSA
46.25

LogP / Solubility

WLOGP
0.11
MLOGP
0.08
XLogP3
-0.1
Consensus LogP
0.03
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
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)
-3.27

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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