CAS RN: 6465-71-0
4-(Heptan-4-Yl)Phenol
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.20260609 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6465-71-0
- Purity/Analytical Methods: >99.0%
6465-71-0 / 4-heptan-4-ylphenol
Basic Information
CAS
6465-71-0
Multi CAS
No
Molecular Formula
C13H20O
Molecular Weight
192.300000
Exact Mass
192.151415
InChI
InChI=1S/C13H20O/c1-3-5-11(6-4-2)12-7-9-13(14)10-8-12/h7-11,14H,3-6H2,1-2H3
InChIKey
RXSSFYKTUVCUKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.66
TPSA
20.23
LogP / Solubility
WLOGP
4.08
MLOGP
3.59
XLogP3
5.1
Consensus LogP
4.26
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
5-O-Cinnamoylquinic acid
- CAS RN: 6470-68-4
- Product Code: starshine_CAS6470-68-4
- Purity/Analytical method: >99.0%
-
-
4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
- CAS RN: 6471-50-7
- Product Code: starshine_CAS6471-50-7
- Purity/Analytical method: >99.0%
![CAS 6471-50-7 4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6471-50-7.gif)