CAS RN: 479-21-0
cotoin
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250102 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS479-21-0
- Purity/Analytical Methods: >99.0%
479-21-0 / (2,6-dihydroxy-4-methoxyphenyl)-phenylmethanone
Basic Information
CAS
479-21-0
Multi CAS
No
Molecular Formula
C14H12O4
Molecular Weight
244.240000
Exact Mass
244.073559
InChI
InChI=1S/C14H12O4/c1-18-10-7-11(15)13(12(16)8-10)14(17)9-5-3-2-4-6-9/h2-8,15-16H,1H3
InChIKey
HNJZOHHIXSIJFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
66.2
TPSA
66.76
LogP / Solubility
WLOGP
2.34
MLOGP
2.06
XLogP3
3.1
Consensus LogP
2.5
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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