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CAS 24237-39-6 ETHYL 2-AMINO-6-METHYL-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 24237-39-6

ETHYL 2-AMINO-6-METHYL-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE-3-CARBOXYLATE

  • Product code: SSC-118319
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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: 10g
  • Available purity: ＞97%
  • 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 24237-39-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

24237-39-6 / ethyl 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Standard CAS: 24237-39-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24237-39-6
Multi CAS
No
Molecular Formula
C11H16N2O2S
Molecular Weight
240.320000
Exact Mass
240.093249
SMILES
CCOC(=O)C1=C(SC2=C1CCN(C2)C)N
InChI
InChI=1S/C11H16N2O2S/c1-3-15-11(14)9-7-4-5-13(2)6-8(7)16-10(9)12/h3-6,12H2,1-2H3
InChIKey
BLLSMPCWRPCBDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.73
TPSA
55.56

LogP / Solubility

WLOGP
1.49
MLOGP
1.32
XLogP3
1.9
Consensus LogP
1.57
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-3.12

Drug-likeness / Medicinal Chemistry

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

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