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CAS 887978-24-7 4-(AMINOMETHYL)-4-P-TOLYLCYCLOHEXANOL molecular structure lightbox
CAS RN: 887978-24-7

4-(AMINOMETHYL)-4-P-TOLYLCYCLOHEXANOL

  • Product code: SSC-200505
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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: ≥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 887978-24-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

887978-24-7 / 4-(aminomethyl)-4-(4-methylphenyl)cyclohexan-1-ol

Standard CAS: 887978-24-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887978-24-7
Multi CAS
No
Molecular Formula
C14H21NO
Molecular Weight
219.320000
Exact Mass
219.162314
InChI
InChI=1S/C14H21NO/c1-11-2-4-12(5-3-11)14(10-15)8-6-13(16)7-9-14/h2-5,13,16H,6-10,15H2,1H3
InChIKey
DHIOBIATTYQQCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
66.39
TPSA
46.25

LogP / Solubility

WLOGP
2.13
MLOGP
1.87
XLogP3
2
Consensus LogP
2
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly 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)
-2.55

Drug-likeness / Medicinal Chemistry

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

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