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CAS 612541-07-8 2-Amino-4-chloro-1,3-thiazole-5-carboxylicacid,2-BOCprotected molecular structure lightbox
CAS RN: 612541-07-8

2-Amino-4-chloro-1,3-thiazole-5-carboxylicacid,2-BOCprotected

  • Product code: SSC-170042
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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 612541-07-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

612541-07-8 / 4-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylic acid

Standard CAS: 612541-07-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
612541-07-8
Multi CAS
No
Molecular Formula
C9H11CLN2O4S
Molecular Weight
278.710000
Exact Mass
278.012806
InChI
InChI=1S/C9H11ClN2O4S/c1-9(2,3)16-8(15)12-7-11-5(10)4(17-7)6(13)14/h1-3H3,(H,13,14)(H,11,12,15)
InChIKey
NBTRAUIPMWUAHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
63.94
TPSA
88.52

LogP / Solubility

WLOGP
2.84
MLOGP
2.51
XLogP3
2.7
Consensus LogP
2.68
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

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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