[email protected]
CAS 1523571-86-9 1-benzyl 7-tert-butyl 1,7-diazaspiro[4.5]decane-1,7-dicarboxylate molecular structure lightbox
CAS RN: 1523571-86-9

1-benzyl 7-tert-butyl 1,7-diazaspiro[4.5]decane-1,7-dicarboxylate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250419 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1523571-86-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1523571-86-9 / 1-O-benzyl 9-O-tert-butyl 1,9-diazaspiro[4.5]decane-1,9-dicarboxylate

Standard CAS: 1523571-86-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1523571-86-9
Multi CAS
No
Molecular Formula
C21H30N2O4
Molecular Weight
374.500000
Exact Mass
374.220557
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CCCN2C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C21H30N2O4/c1-20(2,3)27-18(24)22-13-7-11-21(16-22)12-8-14-23(21)19(25)26-15-17-9-5-4-6-10-17/h4-6,9-10H,7-8,11-16H2,1-3H3
InChIKey
ZUGVSKRDDSIZDH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
102.34
TPSA
59.08

LogP / Solubility

WLOGP
4.19
MLOGP
3.71
XLogP3
3.4
Consensus LogP
3.77
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.03

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