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CAS 1000575-16-5 Methyl4-bromo-2-chlorothiazole-5-carboxylate molecular structure lightbox
CAS RN: 1000575-16-5

Methyl4-bromo-2-chlorothiazole-5-carboxylate

  • Product code: SSC-000281
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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: 0.25g, 0.05g, 0.1g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • 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 1000575-16-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
0.05g >95% 0 Out of Stock Shenzhen Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1000575-16-5 / methyl 4-bromo-2-chloro-1,3-thiazole-5-carboxylate

Methyl 4-Bromo-2-chlorothiazole-5-carboxylate | 1000575-16-5 | MFCD09878034

Standard CAS: 1000575-16-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1000575-16-5
Multi CAS
No
Molecular Formula
C5H3BrClNO2S
Molecular Weight
256.510000
Exact Mass
254.875640
SMILES
COC(=O)C1=C(N=C(S1)Cl)Br
InChI
InChI=1S/C5H3BrClNO2S/c1-10-4(9)2-3(6)8-5(7)11-2/h1H3
InChIKey
IIJWBQWNNFDNAV-UHFFFAOYSA-N
Synonyms
Methyl 4-Bromo-2-chlorothiazole-5-carboxylate 1000575-16-5 MFCD09878034 methyl 4-bromo-2-chloro-1,3-thiazole-5-carboxylate METHYL4-BROMO-2-CHLOROTHIAZOLE-5-CARBOXYLATE

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
46.16
TPSA
39.19

LogP / Solubility

WLOGP
2.35
MLOGP
2.07
XLogP3
3.1
Consensus LogP
2.51
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

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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