[email protected]
CAS 1363380-75-9 Methyl 3-Boc-3-azabicyclo[3.1.1]heptane-6-carboxylate molecular structure lightbox
CAS RN: 1363380-75-9

Methyl 3-Boc-3-azabicyclo[3.1.1]heptane-6-carboxylate

  • Product code: SSC-045288
GET A QUOTE
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
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1363380-75-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry

1363380-75-9 / 3-O-tert-butyl 6-O-methyl 3-azabicyclo[3.1.1]heptane-3,6-dicarboxylate

Standard CAS: 1363380-75-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363380-75-9
Multi CAS
No
Molecular Formula
C13H21NO4
Molecular Weight
255.310000
Exact Mass
255.147058
SMILES
CC(C)(C)OC(=O)N1CC2CC(C1)C2C(=O)OC
InChI
InChI=1S/C13H21NO4/c1-13(2,3)18-12(16)14-6-8-5-9(7-14)10(8)11(15)17-4/h8-10H,5-7H2,1-4H3
InChIKey
ZKYRFBYZYPHCPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
64.91
TPSA
55.84

LogP / Solubility

WLOGP
1.66
MLOGP
1.47
XLogP3
1.4
Consensus LogP
1.51
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately 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)
-3.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

Customers Also Viewed

Get In Touch

Contact Us