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CAS 1035325-28-0 5-[(TERT-BUTOXYCARBONYL)AMINO]BICYCLO[3.1.1]HEPTANE-1-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 1035325-28-0

5-[(TERT-BUTOXYCARBONYL)AMINO]BICYCLO[3.1.1]HEPTANE-1-CARBOXYLIC ACID

Product Availability

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3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250106 25mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250920 100mg Out of stock Inquiry
Batchno.20260113 250mg Out of stock Inquiry
  • Product code: SSC-005110
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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: 0.05g, 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 1035325-28-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 0 Out of Stock Beijing Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1035325-28-0 / 5-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.1]heptane-1-carboxylic acid

5-[(tert-butoxycarbonyl)amino]bicyclo[3.1.1]heptane-1-carboxylic acid | 5-((tert-butoxycarbonyl)amino)bicyclo[3.1.1]heptane-1-carboxylic acid | 5-((tert-Butoxycarbonyl)amino)bicyclo(3.1.1)heptane-1-carboxylic Acid

Standard CAS: 1035325-28-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1035325-28-0
Multi CAS
No
Molecular Formula
C13H21NO4
Molecular Weight
255.310000
Exact Mass
255.147058
SMILES
CC(C)(C)OC(=O)NC12CCCC(C1)(C2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-11(2,3)18-10(17)14-13-6-4-5-12(7-13,8-13)9(15)16/h4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
VJMSCDJQBXPPAR-UHFFFAOYSA-N
Synonyms
5-[(tert-butoxycarbonyl)amino]bicyclo[3.1.1]heptane-1-carboxylic acid 5-((tert-butoxycarbonyl)amino)bicyclo[3.1.1]heptane-1-carboxylic acid 5-((tert-Butoxycarbonyl)amino)bicyclo(3.1.1)heptane-1-carboxylic Acid RefChem:528845 869-176-1

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
65.25
TPSA
75.63

LogP / Solubility

WLOGP
2.3
MLOGP
2.03
XLogP3
1.5
Consensus LogP
1.94
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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)
-2.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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 (50%): 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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