CAS RN: 1802908-04-8
Methyltetrazine-PEG4-Azide
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.20251127 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1802908-04-8
- Purity/Analytical Methods: >99.0%
1802908-04-8 / 3-[4-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]phenyl]-6-methyl-1,2,4,5-tetrazine
Basic Information
CAS
1802908-04-8
Multi CAS
No
Molecular Formula
C17H23N7O4
Molecular Weight
389.400000
Exact Mass
389.181152
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C17H23N7O4/c1-14-20-22-17(23-21-14)15-2-4-16(5-3-15)28-13-12-27-11-10-26-9-8-25-7-6-19-24-18/h2-5H,6-13H2,1H3
InChIKey
AHJFUODPROPZLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.53
Rotatable bonds
14
H-bond acceptors
9
Molar refractivity
99.76
TPSA
137.24
LogP / Solubility
WLOGP
1.98
MLOGP
1.77
XLogP3
1.1
Consensus LogP
1.62
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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