[email protected]
CAS 646055-62-1 1-Benzyl-1,7-diaza-spiro[4.4]nonane-7-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 646055-62-1

1-Benzyl-1,7-diaza-spiro[4.4]nonane-7-carboxylic acid tert-butyl ester

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250705 100mg / 250mg Out of stock 15 business days Inquiry
Batchno.20250629 250mg Out of stock Inquiry
  • Product code: starshine_CAS646055-62-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

646055-62-1 / tert-butyl 1-benzyl-1,7-diazaspiro[4.4]nonane-7-carboxylate

Standard CAS: 646055-62-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
646055-62-1
Multi CAS
No
Molecular Formula
C19H28N2O2
Molecular Weight
316.400000
Exact Mass
316.215078
InChI
InChI=1S/C19H28N2O2/c1-18(2,3)23-17(22)20-13-11-19(15-20)10-7-12-21(19)14-16-8-5-4-6-9-16/h4-6,8-9H,7,10-15H2,1-3H3
InChIKey
LECMSITUHGZUDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
91.24
TPSA
32.78

LogP / Solubility

WLOGP
3.66
MLOGP
3.24
XLogP3
3.1
Consensus LogP
3.33
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us