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CAS 18330-76-2 2-AMinobenzothiazole-6-carboxylic Acid Hydrochloride molecular structure lightbox
CAS RN: 18330-76-2

2-AMinobenzothiazole-6-carboxylic Acid Hydrochloride

  • Product code: SSC-084814
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 18330-76-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

18330-76-2 / 2-amino-1,3-benzothiazole-6-carboxylic acid;hydrochloride

Standard CAS: 18330-76-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18330-76-2
Multi CAS
No
Molecular Formula
C8H7ClN2O2S
Molecular Weight
230.670000
Exact Mass
229.991676
SMILES
C1=CC2=C(C=C1C(=O)O)SC(=N2)N.Cl
InChI
InChI=1S/C8H6N2O2S.ClH/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8;/h1-3H,(H2,9,10)(H,11,12);1H
InChIKey
UTKWPETXSJOITB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.24
TPSA
76.21

LogP / Solubility

WLOGP
2
MLOGP
1.76
XLogP3
2
Consensus LogP
1.92
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately 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)
-2.71

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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