CAS RN: 27590-75-6
5-CHLORO-2-PROPOXYBENZALDEHYDE
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.20250501 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS27590-75-6
- Purity/Analytical Methods: >99.0%
27590-75-6 / 5-chloro-2-propoxybenzaldehyde
Basic Information
CAS
27590-75-6
Multi CAS
No
Molecular Formula
C10H11CLO2
Molecular Weight
198.640000
Exact Mass
198.044757
InChI
InChI=1S/C10H11ClO2/c1-2-5-13-10-4-3-9(11)6-8(10)7-12/h3-4,6-7H,2,5H2,1H3
InChIKey
CRZNXLNLEMYCCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
52.63
TPSA
26.3
LogP / Solubility
WLOGP
2.94
MLOGP
2.59
XLogP3
2.9
Consensus LogP
2.81
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly 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)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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