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CAS 68720-62-7 Ethanol, 2-(2-benzothiazolylmethylamino)- (9CI) molecular structure lightbox
CAS RN: 68720-62-7

Ethanol, 2-(2-benzothiazolylmethylamino)- (9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260421 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS68720-62-7
  • Purity/Analytical Methods: >99.0%
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68720-62-7 / 2-[1,3-benzothiazol-2-yl(methyl)amino]ethanol

Standard CAS: 68720-62-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68720-62-7
Multi CAS
Yes
Molecular Formula
C10H12N2OS
Molecular Weight
208.280000
Exact Mass
208.067034
InChI
InChI=1S/C10H12N2OS/c1-12(6-7-13)10-11-8-4-2-3-5-9(8)14-10/h2-5,13H,6-7H2,1H3
InChIKey
DWMHZPQQTPWJBW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.98
TPSA
36.36

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
2.2
Consensus LogP
1.81
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

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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