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CAS 21743-77-1 2-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)acetic acid molecular structure lightbox
CAS RN: 21743-77-1

2-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)acetic acid

  • Product code: SSC-105014
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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: 0.25g
  • 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 21743-77-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry

21743-77-1 / 2-(2-methyltetrazol-5-yl)acetic acid

Standard CAS: 21743-77-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21743-77-1
Multi CAS
No
Molecular Formula
C4H6N4O2
Molecular Weight
142.120000
Exact Mass
142.049075
SMILES
CN1N=C(N=N1)CC(=O)O
InChI
InChI=1S/C4H6N4O2/c1-8-6-3(5-7-8)2-4(9)10/h2H2,1H3,(H,9,10)
InChIKey
XKISSZKNVUUXDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
30.14
TPSA
80.9

LogP / Solubility

WLOGP
-1.16
MLOGP
-1.03
XLogP3
-0.4
Consensus LogP
-0.86
Log S (ESOL)
-0.23
Class (ESOL)
Very soluble
Log S (Ali)
0.11
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.14
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)
-4.41

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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