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CAS 170508-14-2 Methyl 6-((tert-butoxycarbonyl)aMino)spiro[3.3]heptane-2-carboxylate molecular structure lightbox
CAS RN: 170508-14-2

Methyl 6-((tert-butoxycarbonyl)aMino)spiro[3.3]heptane-2-carboxylate

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251213 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20251006 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251030 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250413 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250122 25g In stock Shanghai Inquiry
Batchno.20260404 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-075060
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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 170508-14-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

170508-14-2 / methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptane-6-carboxylate

Standard CAS: 170508-14-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
170508-14-2
Multi CAS
No
Molecular Formula
C14H23NO4
Molecular Weight
269.340000
Exact Mass
269.162708
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)CC(C2)C(=O)OC
InChI
InChI=1S/C14H23NO4/c1-13(2,3)19-12(17)15-10-7-14(8-10)5-9(6-14)11(16)18-4/h9-10H,5-8H2,1-4H3,(H,15,17)
InChIKey
QUQKSJIPMWXDSA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.56
TPSA
64.63

LogP / Solubility

WLOGP
2.24
MLOGP
1.98
XLogP3
1.9
Consensus LogP
2.04
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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