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CAS 225525-50-8 2-N-BOC-AMINO-4-BENZOTHIAZOLE-6-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 225525-50-8

2-N-BOC-AMINO-4-BENZOTHIAZOLE-6-CARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250204 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-110308
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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 225525-50-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

225525-50-8 / 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid

Standard CAS: 225525-50-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
225525-50-8
Multi CAS
No
Molecular Formula
C13H14N2O4S
Molecular Weight
294.330000
Exact Mass
294.067428
SMILES
CC(C)(C)OC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)O
InChI
InChI=1S/C13H14N2O4S/c1-13(2,3)19-12(18)15-11-14-8-5-4-7(10(16)17)6-9(8)20-11/h4-6H,1-3H3,(H,16,17)(H,14,15,18)
InChIKey
HMAATCOHUYHORT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
76.44
TPSA
88.52

LogP / Solubility

WLOGP
3.34
MLOGP
2.95
XLogP3
2.8
Consensus LogP
3.03
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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