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CAS 225525-63-3 6-Benzothiazolecarboxylicacid,2-amino-4-methyl-,methylester(9CI) molecular structure lightbox
CAS RN: 225525-63-3

6-Benzothiazolecarboxylicacid,2-amino-4-methyl-,methylester(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260622 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-110309
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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 225525-63-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

225525-63-3 / methyl 2-amino-4-methyl-1,3-benzothiazole-6-carboxylate

Standard CAS: 225525-63-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
225525-63-3
Multi CAS
No
Molecular Formula
C10H10N2O2S
Molecular Weight
222.270000
Exact Mass
222.046299
SMILES
CC1=CC(=CC2=C1N=C(S2)N)C(=O)OC
InChI
InChI=1S/C10H10N2O2S/c1-5-3-6(9(13)14-2)4-7-8(5)12-10(11)15-7/h3-4H,1-2H3,(H2,11,12)
InChIKey
UCCRMZWBOIVMKI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
60.11
TPSA
65.21

LogP / Solubility

WLOGP
1.97
MLOGP
1.74
XLogP3
2.2
Consensus LogP
1.97
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.67

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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