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CAS 130198-05-9 1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol Hydrochloride molecular structure lightbox
CAS RN: 130198-05-9

1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol Hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250907 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-036874
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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: 100g
  • 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 130198-05-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

130198-05-9 / 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride

Standard CAS: 130198-05-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
130198-05-9
Multi CAS
No
Molecular Formula
C15H24ClNO2
Molecular Weight
285.810000
Exact Mass
285.149557
SMILES
COC1=CC=C(C=C1)C(CN)C2(CCCCC2)O.Cl
InChI
InChI=1S/C15H23NO2.ClH/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15;/h5-8,14,17H,2-4,9-11,16H2,1H3;1H
InChIKey
NTKXIDDUCSFBBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
80.07
TPSA
55.48

LogP / Solubility

WLOGP
2.85
MLOGP
2.52
XLogP3
2.85
Consensus LogP
2.74
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (96.6%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (93.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (89.8%): Harmful if inhaled [Warning Acute toxicity, inhalation] H362 (91.5%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation] H411 (89.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P260, P261, P263, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P351+P338, P317, P318, P330, P337+P317, P391, and P501

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