CAS RN: 13037-87-1
p-Dodecyloxyphenol
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.20260425 | 5mg / 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS13037-87-1
- Purity/Analytical Methods: >99.0%
13037-87-1 / 4-dodecoxyphenol
Basic Information
CAS
13037-87-1
Multi CAS
No
Molecular Formula
C18H30O2
Molecular Weight
278.400000
Exact Mass
278.224580
SMILES
CCCCCCCCCCCCOC1=CC=C(C=C1)O
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-16-20-18-14-12-17(19)13-15-18/h12-15,19H,2-11,16H2,1H3
InChIKey
FHXJDKPJCDJBEM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
85.45
TPSA
29.46
LogP / Solubility
WLOGP
5.69
MLOGP
5.02
XLogP3
7.3
Consensus LogP
6
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.63
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501
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