CAS RN: 1565-71-5
3-PHENYL-3-PENTANOL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260627 | 200mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1565-71-5
- Purity/Analytical Methods: >99.0%
1565-71-5 / 3-phenylpentan-3-ol
Basic Information
CAS
1565-71-5
Multi CAS
No
Molecular Formula
C11H16O
Molecular Weight
164.240000
Exact Mass
164.120115
SMILES
CCC(CC)(C1=CC=CC=C1)O
InChI
InChI=1S/C11H16O/c1-3-11(12,4-2)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3
InChIKey
XXCPOPNECJIJIH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.92
TPSA
20.23
LogP / Solubility
WLOGP
2.69
MLOGP
2.37
XLogP3
2.7
Consensus LogP
2.59
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
2-PHENYL-2-BUTANOL
- CAS RN: 1565-75-9
- Product Code: starshine_CAS1565-75-9
- Purity/Analytical method: >99.0%
-
-
CIS-1,2-DICHLOROETHYLENE
- CAS RN: 156-59-2
- Product Code: starshine_CAS156-59-2
- Purity/Analytical method: >99.0%
-
-
NS1652
- CAS RN: 1566-81-0
- Product Code: starshine_CAS1566-81-0
- Purity/Analytical method: >99.0%
-
