[email protected]
CAS 163298-70-2 Benzothiazole, 7-methoxy-2-methyl- (9CI) molecular structure lightbox
CAS RN: 163298-70-2

Benzothiazole, 7-methoxy-2-methyl- (9CI)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251007 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS163298-70-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

163298-70-2 / 7-methoxy-2-methyl-1,3-benzothiazole

Standard CAS: 163298-70-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
163298-70-2
Multi CAS
No
Molecular Formula
C9H9NOS
Molecular Weight
179.240000
Exact Mass
179.040485
SMILES
CC1=NC2=C(S1)C(=CC=C2)OC
InChI
InChI=1S/C9H9NOS/c1-6-10-7-4-3-5-8(11-2)9(7)12-6/h3-5H,1-2H3
InChIKey
ULNOESYCOCNVQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
50.91
TPSA
22.12

LogP / Solubility

WLOGP
2.61
MLOGP
2.3
XLogP3
2.8
Consensus LogP
2.57
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly 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)
-1.96

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us