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CAS 1186663-33-1 Ethyl 4,5,6,7-Tetrahydrothiazolo[5,4-c]pyridine-2-carboxylate Hydrochloride molecular structure lightbox
CAS RN: 1186663-33-1

Ethyl 4,5,6,7-Tetrahydrothiazolo[5,4-c]pyridine-2-carboxylate Hydrochloride

  • Product code: SSC-018576
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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, 0.5g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 1186663-33-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
0.5g >97% 0 Out of Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

1186663-33-1 / ethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate;hydrochloride

ethyl 4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylate hydrochloride | MFCD12828696 | ethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate;hydrochloride

Standard CAS: 1186663-33-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1186663-33-1
Multi CAS
No
Molecular Formula
C9H13ClN2O2S
Molecular Weight
248.730000
Exact Mass
248.038627
SMILES
CCOC(=O)C1=NC2=C(S1)CNCC2.Cl
InChI
InChI=1S/C9H12N2O2S.ClH/c1-2-13-9(12)8-11-6-3-4-10-5-7(6)14-8;/h10H,2-5H2,1H3;1H
InChIKey
OLRBCGKGFYFCDL-UHFFFAOYSA-N
Synonyms
ethyl 4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylate hydrochloride MFCD12828696 ethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate;hydrochloride Ethyl 4,5,6,7-Tetrahydrothiazolo[5,4-c]-pyridine-2-carboxylate hydrochloride 4,5,6,7-Tetrahydro-thiazolo[5,4-c]pyridine-2-carboxylic acid ethyl ester hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
60.73
TPSA
51.22

LogP / Solubility

WLOGP
1.39
MLOGP
1.23
XLogP3
1.39
Consensus LogP
1.34
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately 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)
-3.25

Drug-likeness / Medicinal Chemistry

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

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