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CAS 30163-87-2 (2-METHYL-1H-IMIDAZOL-1-YL)ACETIC ACID HYDROCHLORIDE molecular structure lightbox
CAS RN: 30163-87-2

(2-METHYL-1H-IMIDAZOL-1-YL)ACETIC ACID HYDROCHLORIDE

  • Product code: SSC-133859
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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 30163-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

30163-87-2 / 2-(2-methylimidazol-1-yl)acetic acid;hydrochloride

Standard CAS: 30163-87-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30163-87-2
Multi CAS
No
Molecular Formula
C6H9CLN2O2
Molecular Weight
176.600000
Exact Mass
176.035255
InChI
InChI=1S/C6H8N2O2.ClH/c1-5-7-2-3-8(5)4-6(9)10;/h2-3H,4H2,1H3,(H,9,10);1H
InChIKey
CKZLSFDSQQKOSP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.85
TPSA
55.12

LogP / Solubility

WLOGP
0.7
MLOGP
0.61
XLogP3
0.7
Consensus LogP
0.67
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3

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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