![CAS 70217-01-5 4-[(6-Chloro-1,3-benzoxazol-2-yl)oxy]phenol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/70217-01-5.gif)
CAS RN: 70217-01-5
4-[(6-Chloro-1,3-benzoxazol-2-yl)oxy]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.20251128 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS70217-01-5
- Purity/Analytical Methods: >99.0%
70217-01-5 / 4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenol
Basic Information
CAS
70217-01-5
Multi CAS
No
Molecular Formula
C13H8CLNO3
Molecular Weight
261.660000
Exact Mass
261.019271
InChI
InChI=1S/C13H8ClNO3/c14-8-1-6-11-12(7-8)18-13(15-11)17-10-4-2-9(16)3-5-10/h1-7,16H
InChIKey
VMFCMPIPSNBHJH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.2
TPSA
55.49
LogP / Solubility
WLOGP
3.98
MLOGP
3.51
XLogP3
3.1
Consensus LogP
3.53
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
COELENTERAZINE 400 A
- CAS RN: 70217-82-2
- Product Code: starshine_CAS70217-82-2
- Purity/Analytical method: >99.0%
-
(1S,2S)-(+)-1,2-BIS(DIPHENYLPHOSPHINOMETHYL)CYCLOHEXANE
- CAS RN: 70223-77-7
- Product Code: starshine_CAS70223-77-7
- Purity/Analytical method: >99.0%
-
2-(tert-Butyl)-4-chloro-5-nitropyriMidine
- CAS RN: 70227-50-8
- Product Code: starshine_CAS70227-50-8
- Purity/Analytical method: >99.0%
-
(S)-2-((TERT-BUTOXYCARBONYL)AMINO)-4-(DIMETHYLAMINO)-4-OXOBUTANOIC ACID
- CAS RN: 70232-19-8
- Product Code: SSC-180035
-
