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CAS 1087798-38-6 6-(Boc-amino)spiro[3.3]he… molecular structure lightbox
CAS RN: 1087798-38-6

6-(Boc-amino)spiro[3.3]he…

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260618 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250809 100mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260308 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250321 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260603 25g Out of stock Inquiry
Batchno.20260127 5g In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-010049
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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
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • 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 1087798-38-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 1 In Stock Beijing Inquiry
0.25g ≥98% 1 In Stock Shenzhen Inquiry
1g ≥98% 1 In Stock Beijing Inquiry

1087798-38-6 / 2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptane-6-carboxylic acid

6-((tert-Butoxycarbonyl)amino)spiro[3.3]heptane-2-carboxylic acid | 6-[(tert-butoxycarbonyl)amino]spiro[3.3]heptane-2-carboxylic acid | 6-((Tert-butoxycarbonyl)amino)spiro(3.3)heptane-2-carboxylic acid

Standard CAS: 1087798-38-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1087798-38-6
Multi CAS
No
Molecular Formula
C13H21NO4
Molecular Weight
255.310000
Exact Mass
255.147058
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)CC(C2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-9-6-13(7-9)4-8(5-13)10(15)16/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
QFGQEEVKWSGRQJ-UHFFFAOYSA-N
Synonyms
6-((tert-Butoxycarbonyl)amino)spiro[3.3]heptane-2-carboxylic acid 6-[(tert-butoxycarbonyl)amino]spiro[3.3]heptane-2-carboxylic acid 6-((Tert-butoxycarbonyl)amino)spiro(3.3)heptane-2-carboxylic acid RefChem:539005 838-167-4

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.18
TPSA
75.63

LogP / Solubility

WLOGP
2.15
MLOGP
1.9
XLogP3
1.6
Consensus LogP
1.88
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.75

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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