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CAS 127918-92-7 METHYL 2-AMINO-5-(4-CHLOROPHENYL)-1,3-THIAZOLE-4-CARBOXYLATE molecular structure lightbox
CAS RN: 127918-92-7

METHYL 2-AMINO-5-(4-CHLOROPHENYL)-1,3-THIAZOLE-4-CARBOXYLATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260503 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-035288
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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 127918-92-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

127918-92-7 / methyl 2-amino-5-(4-chlorophenyl)-1,3-thiazole-4-carboxylate

Standard CAS: 127918-92-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
127918-92-7
Multi CAS
No
Molecular Formula
C11H9ClN2O2S
Molecular Weight
268.720000
Exact Mass
268.007326
SMILES
COC(=O)C1=C(SC(=N1)N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H9ClN2O2S/c1-16-10(15)8-9(17-11(13)14-8)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,14)
InChIKey
KMZCBFMFOJXUMA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
68.31
TPSA
65.21

LogP / Solubility

WLOGP
2.83
MLOGP
2.5
XLogP3
3.1
Consensus LogP
2.81
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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