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CAS 1134603-63-6 Methyl 2-AMino-2-(4-tetrahydrothiopyranyl)acetate molecular structure lightbox
CAS RN: 1134603-63-6

Methyl 2-AMino-2-(4-tetrahydrothiopyranyl)acetate

  • Product code: SSC-013581
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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
  • Available purity: >95%
  • 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 1134603-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

1134603-63-6 / methyl 2-amino-2-(thian-4-yl)acetate

Methyl 2-Amino-2-(4-tetrahydrothiopyranyl)acetate | METHYL 2-AMINO-2-(TETRAHYDRO-2H-THIOPYRAN-4-YL)ACETATE | METHYL 2-AMINO-2-(THIAN-4-YL)ACETATE

Standard CAS: 1134603-63-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1134603-63-6
Multi CAS
No
Molecular Formula
C8H15NO2S
Molecular Weight
189.280000
Exact Mass
189.082350
SMILES
COC(=O)C(C1CCSCC1)N
InChI
InChI=1S/C8H15NO2S/c1-11-8(10)7(9)6-2-4-12-5-3-6/h6-7H,2-5,9H2,1H3
InChIKey
CAQGEFRXSFRKJL-UHFFFAOYSA-N
Synonyms
Methyl 2-Amino-2-(4-tetrahydrothiopyranyl)acetate METHYL 2-AMINO-2-(TETRAHYDRO-2H-THIOPYRAN-4-YL)ACETATE METHYL 2-AMINO-2-(THIAN-4-YL)ACETATE MFCD04115502 2H-Thiopyran-4-acetic acid, alpha-aminotetrahydro-, methyl ester

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.04
TPSA
52.32

LogP / Solubility

WLOGP
0.63
MLOGP
0.55
XLogP3
0.6
Consensus LogP
0.59
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
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)
-3.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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