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CAS 1177320-67-0 2-chloro-4,7-difluorobenzothiazole molecular structure lightbox
CAS RN: 1177320-67-0

2-chloro-4,7-difluorobenzothiazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251018 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-017574
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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 1177320-67-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1177320-67-0 / 2-chloro-4,7-difluoro-1,3-benzothiazole

2-Chloro-4,7-difluorobenzo[d]thiazole | 2-chloro-4,7-difluoro-1,3-benzothiazole | 2-chloro-4,7-difluorobenzothiazole

Standard CAS: 1177320-67-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1177320-67-0
Multi CAS
No
Molecular Formula
C7H2ClF2NS
Molecular Weight
205.610000
Exact Mass
204.956454
SMILES
C1=CC(=C2C(=C1F)N=C(S2)Cl)F
InChI
InChI=1S/C7H2ClF2NS/c8-7-11-5-3(9)1-2-4(10)6(5)12-7/h1-2H
InChIKey
YFFVYUGQFUQXNZ-UHFFFAOYSA-N
Synonyms
2-Chloro-4,7-difluorobenzo[d]thiazole 2-chloro-4,7-difluoro-1,3-benzothiazole 2-chloro-4,7-difluorobenzothiazole MFCD09748623 SCHEMBL29872373

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
44.55
TPSA
12.89

LogP / Solubility

WLOGP
3.23
MLOGP
2.84
XLogP3
3.5
Consensus LogP
3.19
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-1.68

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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