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CAS 388594-31-8 Carbamic acid, (4-chloro-5-formyl-2-thiazolyl)-, 1,1-dimethylethyl ester (9CI) molecular structure lightbox
CAS RN: 388594-31-8

Carbamic acid, (4-chloro-5-formyl-2-thiazolyl)-, 1,1-dimethylethyl ester (9CI)

  • Product code: SSC-146467
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 388594-31-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
1g >95% 2 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Shanghai Inquiry

388594-31-8 / tert-butyl N-(4-chloro-5-formyl-1,3-thiazol-2-yl)carbamate

Standard CAS: 388594-31-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
388594-31-8
Multi CAS
No
Molecular Formula
C9H11CLN2O3S
Molecular Weight
262.710000
Exact Mass
262.017891
InChI
InChI=1S/C9H11ClN2O3S/c1-9(2,3)15-8(14)12-7-11-6(10)5(4-13)16-7/h4H,1-3H3,(H,11,12,14)
InChIKey
XYPYPVZNBCKNJW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.37
TPSA
68.29

LogP / Solubility

WLOGP
2.96
MLOGP
2.61
XLogP3
2.6
Consensus LogP
2.72
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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