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CAS 1498333-87-1 (4-(Pyridin-2-yl)phenyl)MethanaMine hydrochloride molecular structure lightbox
CAS RN: 1498333-87-1

(4-(Pyridin-2-yl)phenyl)MethanaMine hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250716 50mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-059769
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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 1498333-87-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1498333-87-1 / (4-pyridin-2-ylphenyl)methanamine;hydrochloride

Standard CAS: 1498333-87-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1498333-87-1
Multi CAS
No
Molecular Formula
C12H13ClN2
Molecular Weight
220.700000
Exact Mass
220.076726
SMILES
C1=CC=NC(=C1)C2=CC=C(C=C2)CN.Cl
InChI
InChI=1S/C12H12N2.ClH/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;/h1-8H,9,13H2;1H
InChIKey
CIJJNYGBSSBMHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.81
TPSA
38.91

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.63
Consensus LogP
2.53
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

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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