CAS RN: 2245150-18-7
Methyltetrazine-PEG4-amine HCl salt
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-109669
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞95% | 0 Out of Stock | Shanghai | Inquiry |
2245150-18-7 / 2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrochloride
Basic Information
CAS
2245150-18-7
Multi CAS
No
Molecular Formula
C17H26ClN5O4
Molecular Weight
399.900000
Exact Mass
399.167332
SMILES
CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCN.Cl
InChI
InChI=1S/C17H25N5O4.ClH/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;1H
InChIKey
CXFRTHCHQZRAFJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.53
Rotatable bonds
13
H-bond acceptors
9
H-bond donors
1
Molar refractivity
102.05
TPSA
114.5
LogP / Solubility
WLOGP
1.05
MLOGP
0.95
XLogP3
1.05
Consensus LogP
1.02
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.69
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.41
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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![CAS 2245335-71-9 1,3,2-Benzoxathiaphosphole, hexahydro-3a-methyl-6-(1-methylethenyl)-2-[(2,3,4,5,6-pentafluorophenyl)thio]-, 2-sulfide, (2R,3aR,6S,7aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2245335-71-9.gif)
