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CAS 4144-70-1 4-(2H-benzo[d][1,2,3]triazol-2-yl)butanoic acid molecular structure lightbox
CAS RN: 4144-70-1

4-(2H-benzo[d][1,2,3]triazol-2-yl)butanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251116 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS4144-70-1
  • Purity/Analytical Methods: >99.0%
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4144-70-1 / 4-(benzotriazol-2-yl)butanoic acid

Standard CAS: 4144-70-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4144-70-1
Multi CAS
No
Molecular Formula
C10H11N3O2
Molecular Weight
205.210000
Exact Mass
205.085127
InChI
InChI=1S/C10H11N3O2/c14-10(15)6-3-7-13-11-8-4-1-2-5-9(8)12-13/h1-2,4-5H,3,6-7H2,(H,14,15)
InChIKey
MBYDJZFBIGPCLI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.4
TPSA
68.01

LogP / Solubility

WLOGP
1.3
MLOGP
1.14
XLogP3
0.6
Consensus LogP
1.01
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-3.05

Drug-likeness / Medicinal Chemistry

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

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