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CAS 1341036-19-8 tert-Butyl 9-(hydroxymethyl)-3-azaspiro-[5.5]undecane-3-carboxylate molecular structure lightbox
CAS RN: 1341036-19-8

tert-Butyl 9-(hydroxymethyl)-3-azaspiro-[5.5]undecane-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260625 100mg / 500mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-041386
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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, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 1341036-19-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry
10g >95% 1 In Stock Shanghai Inquiry

1341036-19-8 / tert-butyl 9-(hydroxymethyl)-3-azaspiro[5.5]undecane-3-carboxylate

Standard CAS: 1341036-19-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1341036-19-8
Multi CAS
No
Molecular Formula
C16H29NO3
Molecular Weight
283.410000
Exact Mass
283.214744
SMILES
CC(C)(C)OC(=O)N1CCC2(CCC(CC2)CO)CC1
InChI
InChI=1S/C16H29NO3/c1-15(2,3)20-14(19)17-10-8-16(9-11-17)6-4-13(12-18)5-7-16/h13,18H,4-12H2,1-3H3
InChIKey
NREWQDPOGVEGDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.94
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.52
TPSA
49.77

LogP / Solubility

WLOGP
3.19
MLOGP
2.81
XLogP3
2.9
Consensus LogP
2.97
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly 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)
-2.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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