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CAS 1181563-65-4 3-(AMinoMethyl)-2-naphthol molecular structure lightbox
CAS RN: 1181563-65-4

3-(AMinoMethyl)-2-naphthol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250122 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-017978
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1181563-65-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

1181563-65-4 / 3-(aminomethyl)naphthalen-2-ol

3-(Aminomethyl)-2-naphthol | 3-(aminomethyl)naphthalen-2-ol | MFCD18410094

Standard CAS: 1181563-65-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1181563-65-4
Multi CAS
No
Molecular Formula
C11H11NO
Molecular Weight
173.210000
Exact Mass
173.084064
SMILES
C1=CC=C2C=C(C(=CC2=C1)CN)O
InChI
InChI=1S/C11H11NO/c12-7-10-5-8-3-1-2-4-9(8)6-11(10)13/h1-6,13H,7,12H2
InChIKey
RLMFDOKZEMMCKC-UHFFFAOYSA-N
Synonyms
3-(Aminomethyl)-2-naphthol 3-(aminomethyl)naphthalen-2-ol MFCD18410094 SCHEMBL15345541 AKOS022984861

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.5
TPSA
46.25

LogP / Solubility

WLOGP
2
MLOGP
1.76
XLogP3
2.2
Consensus LogP
1.99
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately 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)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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