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CAS 70686-51-0 4-(1H-iMidazol-1-yl)butanoic acid molecular structure lightbox
CAS RN: 70686-51-0

4-(1H-iMidazol-1-yl)butanoic acid

  • Product code: SSC-180437
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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 70686-51-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

70686-51-0 / 4-pyrrol-1-ylbutanoic acid

Standard CAS: 70686-51-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70686-51-0
Multi CAS
Yes
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
InChI
InChI=1S/C8H11NO2/c10-8(11)4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7H2,(H,10,11)
InChIKey
HFOJQSTXILTKIT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.3
TPSA
42.23

LogP / Solubility

WLOGP
1.35
MLOGP
1.18
XLogP3
0.5
Consensus LogP
1.01
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately 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)
-2.69

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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