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CAS 1408058-13-8 2-(4-Piperidyl)benzoxazole Hydrochloride molecular structure lightbox
CAS RN: 1408058-13-8

2-(4-Piperidyl)benzoxazole Hydrochloride

  • Product code: SSC-051298
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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: 1g, 5g, 0.1g, 0.25g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 1408058-13-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 4 In Stock Shanghai Inquiry
5g >97% 4 In Stock Shenzhen Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

1408058-13-8 / 2-piperidin-4-yl-1,3-benzoxazole;hydrochloride

Standard CAS: 1408058-13-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1408058-13-8
Multi CAS
No
Molecular Formula
C12H15ClN2O
Molecular Weight
238.710000
Exact Mass
238.087291
SMILES
C1CNCCC1C2=NC3=CC=CC=C3O2.Cl
InChI
InChI=1S/C12H14N2O.ClH/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H
InChIKey
SNYHDSIOBPNMML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.1
TPSA
38.06

LogP / Solubility

WLOGP
2.72
MLOGP
2.4
XLogP3
2.72
Consensus LogP
2.61
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-2.25

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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