Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
39110-74-2 / naphthalen-1-ylmethanamine;hydrochloride
Basic Information
CAS
39110-74-2
Multi CAS
Yes
Molecular Formula
C11H12CLN
Molecular Weight
193.670000
Exact Mass
193.065827
InChI
InChI=1S/C11H11N.ClH/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8,12H2;1H
InChIKey
NEXZCFUBZJBRCP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.09
TPSA
26.02
LogP / Solubility
WLOGP
2.72
MLOGP
2.39
XLogP3
2.72
Consensus LogP
2.61
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97
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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