![CAS 881914-35-8 2-amino-2-[2-(3-azido-4-octylphenyl)ethyl]propane-1,3-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/881914-35-8.gif)
CAS RN: 881914-35-8
2-amino-2-[2-(3-azido-4-octylphenyl)ethyl]propane-1,3-diol
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250319 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS881914-35-8
- Purity/Analytical Methods: >99.0%
881914-35-8 / 2-amino-2-[2-(3-azido-4-octylphenyl)ethyl]propane-1,3-diol
Basic Information
CAS
881914-35-8
Multi CAS
Yes
Molecular Formula
C19H32N4O2
Molecular Weight
348.500000
Exact Mass
348.252526
InChI
InChI=1S/C19H32N4O2/c1-2-3-4-5-6-7-8-17-10-9-16(13-18(17)22-23-21)11-12-19(20,14-24)15-25/h9-10,13,24-25H,2-8,11-12,14-15,20H2,1H3
InChIKey
FLPFGLNTCQQHNS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
3
Molar refractivity
101.74
TPSA
115.24
LogP / Solubility
WLOGP
4.15
MLOGP
3.67
XLogP3
5.1
Consensus LogP
4.31
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.93
Class (SILICOS-IT)
Insoluble
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)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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