CAS RN: 1613239-16-9
3-(4,6-Dichloro-3-pyridyl)oxetan-3-ol
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.20251216 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1613239-16-9
- Purity/Analytical Methods: >99.0%
1613239-16-9 / 3-(4,6-dichloro-3-pyridinyl)oxetan-3-ol
Basic Information
CAS
1613239-16-9
Multi CAS
No
Molecular Formula
C8H7Cl2NO2
Molecular Weight
220.050000
Exact Mass
218.985384
SMILES
C1C(CO1)(C2=CN=C(C=C2Cl)Cl)O
InChI
InChI=1S/C8H7Cl2NO2/c9-6-1-7(10)11-2-5(6)8(12)3-13-4-8/h1-2,12H,3-4H2
InChIKey
YRXBGAHFJREMTL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.97
TPSA
42.35
LogP / Solubility
WLOGP
1.61
MLOGP
1.42
XLogP3
1
Consensus LogP
1.34
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately 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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1613259-71-4 Methyl({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Methyl({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine
- CAS RN: 1613259-71-4
- Product Code: SSC-068994
-
-
Seco-Duocarmycin MA
- CAS RN: 1613286-57-9
- Product Code: starshine_CAS1613286-57-9
- Purity/Analytical method: >99.0%
-
Acetic acid, 2-hydroxy-, 2-[(methylamino)carbonyl]hydrazide
- CAS RN: 1613307-26-8
- Product Code: SSC-069015
-
(5-Chloro-2-methyl-3-nitro-phenyl)-methanol
- CAS RN: 1613329-98-8
- Product Code: SSC-069022
-
3-(difluoromethyl)cyclobutane-1-carboxylic acid
- CAS RN: 1613330-49-6
- Product Code: SSC-069023
![CAS 1613259-71-4 Methyl({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62564674.gif)
![CAS 1613307-26-8 Acetic acid, 2-hydroxy-, 2-[(methylamino)carbonyl]hydrazide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1613307-26-8.gif)
