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CAS 84138-77-2 5-P-TOLYLOXYMETHYL-[1,3,4]THIADIAZOL-2-YLAMINE molecular structure lightbox
CAS RN: 84138-77-2

5-P-TOLYLOXYMETHYL-[1,3,4]THIADIAZOL-2-YLAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250402 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS84138-77-2
  • Purity/Analytical Methods: >99.0%
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84138-77-2 / 5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine

Standard CAS: 84138-77-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84138-77-2
Multi CAS
Yes
Molecular Formula
C10H11N3OS
Molecular Weight
221.280000
Exact Mass
221.062283
InChI
InChI=1S/C10H11N3OS/c1-7-2-4-8(5-3-7)14-6-9-12-13-10(11)15-9/h2-5H,6H2,1H3,(H2,11,13)
InChIKey
CTCPPJXVAHAECP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
59.83
TPSA
61.03

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
1.9
Consensus LogP
1.89
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

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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