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CAS 230301-73-2 tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate molecular structure lightbox
CAS RN: 230301-73-2

tert-butyl 6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251222 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-111828
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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 230301-73-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

230301-73-2 / tert-butyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

Standard CAS: 230301-73-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
230301-73-2
Multi CAS
No
Molecular Formula
C12H17NO2S
Molecular Weight
239.340000
Exact Mass
239.098000
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=CS2
InChI
InChI=1S/C12H17NO2S/c1-12(2,3)15-11(14)13-6-4-10-9(8-13)5-7-16-10/h5,7H,4,6,8H2,1-3H3
InChIKey
DGYXRUYCQAYVDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
64.67
TPSA
29.54

LogP / Solubility

WLOGP
3.04
MLOGP
2.68
XLogP3
2.4
Consensus LogP
2.71
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly 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)
-2.02

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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