[email protected]
CAS 877790-46-0 8-(5-NITROPYRIDIN-2-YL)-1,4-DIOXA-8-AZASPIRO[4.5]DECANE molecular structure lightbox
CAS RN: 877790-46-0

8-(5-NITROPYRIDIN-2-YL)-1,4-DIOXA-8-AZASPIRO[4.5]DECANE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260215 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS877790-46-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

877790-46-0 / 8-(5-nitro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane

Standard CAS: 877790-46-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
877790-46-0
Multi CAS
No
Molecular Formula
C12H15N3O4
Molecular Weight
265.260000
Exact Mass
265.106256
InChI
InChI=1S/C12H15N3O4/c16-15(17)10-1-2-11(13-9-10)14-5-3-12(4-6-14)18-7-8-19-12/h1-2,9H,3-8H2
InChIKey
NMLMJCKWDMDLTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
66.97
TPSA
77.73

LogP / Solubility

WLOGP
1.33
MLOGP
1.18
XLogP3
1.1
Consensus LogP
1.2
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-3.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us