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CAS 1006432-73-0 POTASSIUM 4-(3-MORPHOLIN-4-YLPROPYL)-5-[(2-OXOPYRROLIDIN-1-YL)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOLATE molecular structure lightbox
CAS RN: 1006432-73-0

POTASSIUM 4-(3-MORPHOLIN-4-YLPROPYL)-5-[(2-OXOPYRROLIDIN-1-YL)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOLATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260323 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-001273
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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: 1g
  • 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 1006432-73-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1006432-73-0 / potassium 4-(3-morpholin-4-ylpropyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thiolate

potassium {4-[3-(morpholin-4-yl)propyl]-5-[(2-oxopyrrolidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanide | potassium (4-(3-(morpholin-4-yl)propyl)-5-((2-oxopyrrolidin-1-yl)methyl)-4H-1,2,4-triazol-3-yl)sulfanide | RefChem:867425

Standard CAS: 1006432-73-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1006432-73-0
Multi CAS
Yes
Molecular Formula
C14H22KN5O2S
Molecular Weight
363.520000
Exact Mass
363.113128
SMILES
C1CC(=O)N(C1)CC2=NN=C(N2CCCN3CCOCC3)[S-].[K+]
InChI
InChI=1S/C14H23N5O2S.K/c20-13-3-1-5-18(13)11-12-15-16-14(22)19(12)6-2-4-17-7-9-21-10-8-17;/h1-11H2,(H,16,22);/q;+1/p-1
InChIKey
NLWNDUNWNHSGEA-UHFFFAOYSA-M
Synonyms
potassium {4-[3-(morpholin-4-yl)propyl]-5-[(2-oxopyrrolidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanide potassium (4-(3-(morpholin-4-yl)propyl)-5-((2-oxopyrrolidin-1-yl)methyl)-4H-1,2,4-triazol-3-yl)sulfanide RefChem:867425 100-490-7 potassium 4-(3-morpholin-4-ylpropyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-4H-1,2,4-triazole-3-thiolate

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
5
Fraction Csp3
0.79
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
82.18
TPSA
63.49

LogP / Solubility

WLOGP
-2.97
MLOGP
-2.59
XLogP3
-2.97
Consensus LogP
-2.84
Log S (ESOL)
0.01
Class (ESOL)
Highly soluble
Log S (Ali)
-0.4
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.28
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

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

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