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CAS 399017-10-8 Ethyl 2-(4-Hydroxyphenyl)-4-methylthiazole-5-carboxylate Hydrochloride molecular structure lightbox
CAS RN: 399017-10-8

Ethyl 2-(4-Hydroxyphenyl)-4-methylthiazole-5-carboxylate Hydrochloride

  • Product code: SSC-147722
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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: 5g
  • 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 399017-10-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

399017-10-8 / ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride

Standard CAS: 399017-10-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
399017-10-8
Multi CAS
No
Molecular Formula
C13H14CLNO3S
Molecular Weight
299.770000
Exact Mass
299.038292
InChI
InChI=1S/C13H13NO3S.ClH/c1-3-17-13(16)11-8(2)14-12(18-11)9-4-6-10(15)7-5-9;/h4-7,15H,3H2,1-2H3;1H
InChIKey
FNHJNGXGYJUCHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
77.16
TPSA
59.42

LogP / Solubility

WLOGP
3.42
MLOGP
3.02
XLogP3
3.42
Consensus LogP
3.29
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12

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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