[email protected]
CAS 21587-74-6 3,9-BIS(3-AMINOPROPYL)-2,4,8,10-TETRAOXASPIRO[5.5]UNDECANE molecular structure lightbox
CAS RN: 21587-74-6

3,9-BIS(3-AMINOPROPYL)-2,4,8,10-TETRAOXASPIRO[5.5]UNDECANE

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251113 100mg Out of stock Inquiry
Batchno.20260118 250mg Out of stock Inquiry
Batchno.20260228 50mg Out of stock Inquiry
  • Product code: starshine_CAS21587-74-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

21587-74-6 / 3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine

Standard CAS: 21587-74-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21587-74-6
Multi CAS
No
Molecular Formula
C13H26N2O4
Molecular Weight
274.360000
Exact Mass
274.189257
SMILES
C1C2(COC(O1)CCCN)COC(OC2)CCCN
InChI
InChI=1S/C13H26N2O4/c14-5-1-3-11-16-7-13(8-17-11)9-18-12(19-10-13)4-2-6-15/h11-12H,1-10,14-15H2
InChIKey
ANOPCGQVRXJHHD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
70.39
TPSA
88.96

LogP / Solubility

WLOGP
0.2
MLOGP
0.18
XLogP3
-0.8
Consensus LogP
-0.14
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.25

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us