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CAS 101337-93-3 2-Benzothiazolamine,7-chloro-6-fluoro-(9CI) molecular structure lightbox
CAS RN: 101337-93-3

2-Benzothiazolamine,7-chloro-6-fluoro-(9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250328 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS101337-93-3
  • Purity/Analytical Methods: >99.0%
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101337-93-3 / 7-chloro-6-fluoro-1,3-benzothiazol-2-amine

2-Amino-7-chloro-6-fluorobenzothiazole | RefChem:255876 | 7-CHLORO-6-FLUORO-1,3-BENZOTHIAZOL-2-AMINE

Standard CAS: 101337-93-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101337-93-3
Multi CAS
No
Molecular Formula
C7H4ClFN2S
Molecular Weight
202.640000
Exact Mass
201.976775
SMILES
C1=CC(=C(C2=C1N=C(S2)N)Cl)F
InChI
InChI=1S/C7H4ClFN2S/c8-5-3(9)1-2-4-6(5)12-7(10)11-4/h1-2H,(H2,10,11)
InChIKey
AJBFRRHGAUBCOQ-UHFFFAOYSA-N
Synonyms
2-Amino-7-chloro-6-fluorobenzothiazole RefChem:255876 7-CHLORO-6-FLUORO-1,3-BENZOTHIAZOL-2-AMINE 2-Benzothiazolamine,7-chloro-6-fluoro-(9CI) 7-Chloro-6-fluorobenzo[d]thiazol-2-amine

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49
TPSA
38.91

LogP / Solubility

WLOGP
2.67
MLOGP
2.35
XLogP3
2.8
Consensus LogP
2.61
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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)
-2.06

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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