CAS RN: 55745-97-6
CHROMAN-6-CARBALDEHYDE
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.20250412 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS55745-97-6
- Purity/Analytical Methods: >99.0%
55745-97-6 / 3,4-dihydro-2H-chromene-6-carbaldehyde
Basic Information
CAS
55745-97-6
Multi CAS
No
Molecular Formula
C10H10O2
Molecular Weight
162.180000
Exact Mass
162.068080
InChI
InChI=1S/C10H10O2/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6-7H,1-2,5H2
InChIKey
YIHDTNNFJDJYRG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.65
TPSA
26.3
LogP / Solubility
WLOGP
1.82
MLOGP
1.6
XLogP3
1.7
Consensus LogP
1.71
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.41
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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