CAS RN: 389131-94-6
4-Azidobutanol 1-(4-Methylbenzenesulfonate)
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.20260308 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS389131-94-6
- Purity/Analytical Methods: >99.0%
389131-94-6 / 4-azidobutyl 4-methylbenzenesulfonate
Basic Information
CAS
389131-94-6
Multi CAS
No
Molecular Formula
C11H15N3O3S
Molecular Weight
269.320000
Exact Mass
269.083413
InChI
InChI=1S/C11H15N3O3S/c1-10-4-6-11(7-5-10)18(15,16)17-9-3-2-8-13-14-12/h4-7H,2-3,8-9H2,1H3
InChIKey
VCNIVVPLEIFWQJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
67.56
TPSA
92.13
LogP / Solubility
WLOGP
2.79
MLOGP
2.46
XLogP3
3.1
Consensus LogP
2.78
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.57
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)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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