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CAS 1251000-10-8 3-Aminomethyl-1,7-Dioxa-10-Aza-Spiro[4.6]Undecane-10-Carboxylic Acid Tert-Butyl Ester molecular structure lightbox
CAS RN: 1251000-10-8

3-Aminomethyl-1,7-Dioxa-10-Aza-Spiro[4.6]Undecane-10-Carboxylic Acid Tert-Butyl Ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250802 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1251000-10-8
  • Purity/Analytical Methods: >99.0%
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1251000-10-8 / tert-butyl 3-(aminomethyl)-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxylate

Standard CAS: 1251000-10-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1251000-10-8
Multi CAS
No
Molecular Formula
C14H26N2O4
Molecular Weight
286.370000
Exact Mass
286.189257
SMILES
CC(C)(C)OC(=O)N1CCOCC2(C1)CC(CO2)CN
InChI
InChI=1S/C14H26N2O4/c1-13(2,3)20-12(17)16-4-5-18-10-14(9-16)6-11(7-15)8-19-14/h11H,4-10,15H2,1-3H3
InChIKey
VAUTUPYFRABMRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.47
TPSA
74.02

LogP / Solubility

WLOGP
0.99
MLOGP
0.88
XLogP3
-0.1
Consensus LogP
0.59
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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