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CAS 876761-75-0 N-BOC-AMINO-(1,4-DIOXA-SPIRO[4.5]DEC-8-YL)-ACETIC ACID molecular structure lightbox
CAS RN: 876761-75-0

N-BOC-AMINO-(1,4-DIOXA-SPIRO[4.5]DEC-8-YL)-ACETIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250418 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS876761-75-0
  • Purity/Analytical Methods: >99.0%
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876761-75-0 / 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

Standard CAS: 876761-75-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
876761-75-0
Multi CAS
No
Molecular Formula
C15H25NO6
Molecular Weight
315.360000
Exact Mass
315.168188
InChI
InChI=1S/C15H25NO6/c1-14(2,3)22-13(19)16-11(12(17)18)10-4-6-15(7-5-10)20-8-9-21-15/h10-11H,4-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
RCLRJIIPUPENTL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.87
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
77.39
TPSA
94.09

LogP / Solubility

WLOGP
1.9
MLOGP
1.68
XLogP3
1.5
Consensus LogP
1.69
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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