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CAS 6638-45-5 2-(3,4-Dimethoxy-phenyl)-benzothiazole molecular structure lightbox
CAS RN: 6638-45-5

2-(3,4-Dimethoxy-phenyl)-benzothiazole

  • Product code: SSC-176046
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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 6638-45-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

6638-45-5 / 2-(3,4-dimethoxyphenyl)-1,3-benzothiazole

Standard CAS: 6638-45-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6638-45-5
Multi CAS
Yes
Molecular Formula
C15H13NO2S
Molecular Weight
271.300000
Exact Mass
271.066700
InChI
InChI=1S/C15H13NO2S/c1-17-12-8-7-10(9-13(12)18-2)15-16-11-5-3-4-6-14(11)19-15/h3-9H,1-2H3
InChIKey
JMSHSEQKUVZWNO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
78.16
TPSA
31.35

LogP / Solubility

WLOGP
3.98
MLOGP
3.51
XLogP3
4.2
Consensus LogP
3.9
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55

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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