CAS RN: 1217603-70-7
(R)-3-Azido-1-phenyl-1-(2-methylphenoxy-d7)propane
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.20251108 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1217603-70-7
- Purity/Analytical Methods: >99.0%
1217603-70-7 / 1-[(1R)-3-azido-1-phenylpropoxy]-2,3,4,5-tetradeuterio-6-(trideuteriomethyl)benzene
Basic Information
CAS
1217603-70-7
Multi CAS
No
Molecular Formula
C16H17N3O
Molecular Weight
274.370000
Exact Mass
274.181099
SMILES
[2H]C1=C(C(=C(C(=C1[2H])C([2H])([2H])[2H])O[C@H](CCN=[N+]=[N-])C2=CC=CC=C2)[2H])[2H]
InChI
InChI=1S/C16H17N3O/c1-13-7-5-6-10-15(13)20-16(11-12-18-19-17)14-8-3-2-4-9-14/h2-10,16H,11-12H2,1H3/t16-/m1/s1/i1D3,5D,6D,7D,10D
InChIKey
SPJNLNFZPWFKNL-NUZBOFKISA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
79.62
TPSA
57.99
LogP / Solubility
WLOGP
4.82
MLOGP
4.25
XLogP3
5
Consensus LogP
4.69
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.11
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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