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CAS 190849-64-0 (Benzotriazol-1-yloxy)dipiperidinocarbenium hexafluorophosphate molecular structure lightbox
CAS RN: 190849-64-0

(Benzotriazol-1-yloxy)dipiperidinocarbenium hexafluorophosphate

  • Product code: SSC-089326
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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 190849-64-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

190849-64-0 / 1-[piperidin-1-ium-1-ylidene(piperidin-1-yl)methoxy]benzotriazole hexafluorophosphate

Standard CAS: 190849-64-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
190849-64-0
Multi CAS
No
Molecular Formula
C17H24F6N5OP
Molecular Weight
459.400000
Exact Mass
459.162266
SMILES
C1CCN(CC1)C(=[N+]2CCCCC2)ON3C4=CC=CC=C4N=N3.F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C17H24N5O.F6P/c1-5-11-20(12-6-1)17(21-13-7-2-8-14-21)23-22-16-10-4-3-9-15(16)18-19-22;1-7(2,3,4,5)6/h3-4,9-10H,1-2,5-8,11-14H2;/q+1;-1
InChIKey
YNOBMGHLCWIWCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
9
Fraction Csp3
0.59
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
101.95
TPSA
46.19

LogP / Solubility

WLOGP
5.28
MLOGP
4.68
XLogP3
5.28
Consensus LogP
5.08
Log S (ESOL)
-6.17
Class (ESOL)
Insoluble
Log S (Ali)
-7.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.15
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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