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CAS 179060-34-5 tert-butyl 6,7-dihydrofuro[3,2-c]pyridine-5(4H)-carboxylate molecular structure lightbox
CAS RN: 179060-34-5

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

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250720 50mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-079779
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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: 0.1g, 0.25g, 1g
  • 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 179060-34-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

179060-34-5 / tert-butyl 6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylate

Standard CAS: 179060-34-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
179060-34-5
Multi CAS
No
Molecular Formula
C12H17NO3
Molecular Weight
223.270000
Exact Mass
223.120843
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=CO2
InChI
InChI=1S/C12H17NO3/c1-12(2,3)16-11(14)13-6-4-10-9(8-13)5-7-15-10/h5,7H,4,6,8H2,1-3H3
InChIKey
AEIQKXMKADMJOP-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
59.06
TPSA
42.68

LogP / Solubility

WLOGP
2.57
MLOGP
2.27
XLogP3
1.7
Consensus LogP
2.18
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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)
-2.26

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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