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CAS 96107-94-7 1H-TETRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER SODIUM SALT molecular structure lightbox
CAS RN: 96107-94-7

1H-TETRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER SODIUM SALT

  • Product code: SSC-211900
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • 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 96107-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry

96107-94-7 / sodium ethyl 1,2,3-triaza-4-azanidacyclopenta-2,5-diene-5-carboxylate

Standard CAS: 96107-94-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96107-94-7
Multi CAS
Yes
Molecular Formula
C4H5N4NAO2
Molecular Weight
164.100000
Exact Mass
164.031020
InChI
InChI=1S/C4H6N4O2.Na/c1-2-10-4(9)3-5-7-8-6-3;/h2H2,1H3,(H,5,6,7,8,9);/q;+1/p-1
InChIKey
VQNJMUUEIMIRJX-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
29.1
TPSA
79.07

LogP / Solubility

WLOGP
-3.99
MLOGP
-3.52
XLogP3
-3.99
Consensus LogP
-3.83
Log S (ESOL)
1.45
Class (ESOL)
Highly soluble
Log S (Ali)
1.98
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.35
Class (SILICOS-IT)
Highly 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)
-6.55

Drug-likeness / Medicinal Chemistry

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

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