CAS RN: 1802908-05-9
Methyltetrazine-PEG4-Amine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250401 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1802908-05-9
- Purity/Analytical Methods: >99.0%
1802908-05-9 / 2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethanamine
Basic Information
CAS
1802908-05-9
Multi CAS
No
Molecular Formula
C17H25N5O4
Molecular Weight
363.400000
Exact Mass
363.190654
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCN
InChI
InChI=1S/C17H25N5O4/c1-14-19-21-17(22-20-14)15-2-4-16(5-3-15)26-13-12-25-11-10-24-9-8-23-7-6-18/h2-5H,6-13,18H2,1H3
InChIKey
JOEAATMYJGXMGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.53
Rotatable bonds
13
H-bond acceptors
9
H-bond donors
1
Molar refractivity
94.8
TPSA
114.5
LogP / Solubility
WLOGP
0.63
MLOGP
0.57
XLogP3
-0.7
Consensus LogP
0.17
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly 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)
-4.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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