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CAS 90792-69-1 methyl 2-chlorobenzo[d]thiazole-6-carboxylate molecular structure lightbox
CAS RN: 90792-69-1

methyl 2-chlorobenzo[d]thiazole-6-carboxylate

  • Product code: SSC-203418
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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: ＞97%
  • 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 90792-69-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

90792-69-1 / methyl 2-chloro-1,3-benzothiazole-6-carboxylate

Standard CAS: 90792-69-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90792-69-1
Multi CAS
No
Molecular Formula
C9H6CLNO2S
Molecular Weight
227.670000
Exact Mass
226.980777
InChI
InChI=1S/C9H6ClNO2S/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h2-4H,1H3
InChIKey
HSTWZXJDEICJAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
55.97
TPSA
39.19

LogP / Solubility

WLOGP
2.74
MLOGP
2.41
XLogP3
3.2
Consensus LogP
2.78
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.17

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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