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CAS 899806-45-2 TRANS-2-(4-AMINOCYCLOHEXYL)-2-HYDROXYPROPANE molecular structure lightbox
CAS RN: 899806-45-2

TRANS-2-(4-AMINOCYCLOHEXYL)-2-HYDROXYPROPANE

  • Product code: SSC-202235
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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: 0.1g, 0.25g, 1g, 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 899806-45-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Beijing Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

899806-45-2 / 2-(4-aminocyclohexyl)propan-2-ol

Standard CAS: 899806-45-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
899806-45-2
Multi CAS
Yes
Molecular Formula
C9H19NO
Molecular Weight
157.250000
Exact Mass
157.146664
InChI
InChI=1S/C9H19NO/c1-9(2,11)7-3-5-8(10)6-4-7/h7-8,11H,3-6,10H2,1-2H3
InChIKey
IUGMKNUWVITXNR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.23
TPSA
46.25

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
0.7
Consensus LogP
1.03
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
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)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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