CAS RN: 1089709-03-4
3-Hydroxycyclobutyl Pivalate
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.20250624 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1089709-03-4
- Purity/Analytical Methods: >99.0%
1089709-03-4 / (3-hydroxycyclobutyl) 2,2-dimethylpropanoate
3-HYDROXYCYCLOBUTYL 2,2-DIMETHYLPROPANOATE | RefChem:502544 | 828-170-9
Basic Information
CAS
1089709-03-4
Multi CAS
No
Molecular Formula
C9H16O3
Molecular Weight
172.220000
Exact Mass
172.109944
SMILES
CC(C)(C)C(=O)OC1CC(C1)O
InChI
InChI=1S/C9H16O3/c1-9(2,3)8(11)12-7-4-6(10)5-7/h6-7,10H,4-5H2,1-3H3
InChIKey
AOWHHZSWFRKEHL-UHFFFAOYSA-N
Synonyms
3-HYDROXYCYCLOBUTYL 2,2-DIMETHYLPROPANOATE
RefChem:502544
828-170-9
3-hydroxycyclobutyl pivalate
cis-3-hydroxycyclobutyl 2,2-dimethylpropanoate
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.58
TPSA
46.53
LogP / Solubility
WLOGP
1.1
MLOGP
0.96
XLogP3
1.5
Consensus LogP
1.19
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
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)
-2.99
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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
-
-
-
5-BROMO-3-(PYRROLIDIN-1-YLCARBONYL)PYRIDINE
- CAS RN: 1090388-79-6
- Product Code: SSC-010215
-
Methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate
- CAS RN: 1090553-79-9
- Product Code: SSC-010222
-
Rac1 Inhibitor II
- CAS RN: 1090893-12-1
- Product Code: starshine_CAS1090893-12-1
- Purity/Analytical method: >99.0%
![CAS 1089759-42-1 (S)-octahydropyrazino[2,1-c][1,4]oxazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1089759-42-1.gif)
