CAS RN: 181297-72-3
2-(3-CHLOROPHENOXY)BENZENECARBALDEHYDE
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.20250722 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS181297-72-3
- Purity/Analytical Methods: >99.0%
181297-72-3 / 2-(3-chlorophenoxy)benzaldehyde
Basic Information
CAS
181297-72-3
Multi CAS
No
Molecular Formula
C13H9ClO2
Molecular Weight
232.660000
Exact Mass
232.029107
SMILES
C1=CC=C(C(=C1)C=O)OC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H9ClO2/c14-11-5-3-6-12(8-11)16-13-7-2-1-4-10(13)9-15/h1-9H
InChIKey
JEPWDAWNQGZIFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
63.36
TPSA
26.3
LogP / Solubility
WLOGP
3.94
MLOGP
3.48
XLogP3
3.5
Consensus LogP
3.64
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
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)
-1.34
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
-
methyl 1-amino-4-methylcyclohexane-1-carboxylate
- CAS RN: 181300-38-9
- Product Code: SSC-082445
-
-
TERT-BUTYL TRANS-4-FORMYLCYCLOHEXYLCARBAMATE
- CAS RN: 181308-57-6
- Product Code: SSC-082448
-
(1S,3R,6S,8R,9S,10E,12S,14S)-6,9,14-Tris(acetyloxy)-3,12-dihydroxy-1,5,16,16-tetramethyltricyclo[9.3.1.14,8]hexadeca-4,10-dien-2-one
- CAS RN: 181309-92-2
- Product Code: starshine_CAS181309-92-2
- Purity/Analytical method: >99.0%
-
-
![CAS 181309-92-2 (1S,3R,6S,8R,9S,10E,12S,14S)-6,9,14-Tris(acetyloxy)-3,12-dihydroxy-1,5,16,16-tetramethyltricyclo[9.3.1.14,8]hexadeca-4,10-dien-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/181309-92-2.gif)
