[email protected]
CAS 1427475-21-5 3-(AMinoMethyl)-1-benzylpyrazole Dihydrochloride molecular structure lightbox
CAS RN: 1427475-21-5

3-(AMinoMethyl)-1-benzylpyrazole Dihydrochloride

  • Product code: SSC-053935
GET A QUOTE
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, 5g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1427475-21-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g -- 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g -- 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Shanghai Inquiry

1427475-21-5 / (1-benzylpyrazol-3-yl)methanamine;dihydrochloride

Standard CAS: 1427475-21-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427475-21-5
Multi CAS
No
Molecular Formula
C11H15Cl2N3
Molecular Weight
260.160000
Exact Mass
259.064303
SMILES
C1=CC=C(C=C1)CN2C=CC(=N2)CN.Cl.Cl
InChI
InChI=1S/C11H13N3.2ClH/c12-8-11-6-7-14(13-11)9-10-4-2-1-3-5-10;;/h1-7H,8-9,12H2;2*1H
InChIKey
OWPIRNDTOSHXQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.16
TPSA
43.84

LogP / Solubility

WLOGP
2.23
MLOGP
1.97
XLogP3
2.23
Consensus LogP
2.14
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us