CAS RN: 160098-78-2
Cryptofolione
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250216 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS160098-78-2
- Purity/Analytical Methods: >99.0%
160098-78-2 / (2R)-2-[(1E,4S,6R,7E)-4,6-dihydroxy-8-phenylocta-1,7-dienyl]-2,3-dihydropyran-6-one
Basic Information
CAS
160098-78-2
Multi CAS
No
Molecular Formula
C19H22O4
Molecular Weight
314.400000
Exact Mass
314.151809
SMILES
C1C=CC(=O)O[C@H]1/C=C/C[C@@H](C[C@H](/C=C/C2=CC=CC=C2)O)O
InChI
InChI=1S/C19H22O4/c20-16(8-4-9-18-10-5-11-19(22)23-18)14-17(21)13-12-15-6-2-1-3-7-15/h1-7,9,11-13,16-18,20-21H,8,10,14H2/b9-4+,13-12+/t16-,17-,18-/m0/s1
InChIKey
JSKFCRSAYKODTM-RURAAYBUSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.32
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
89.5
TPSA
66.76
LogP / Solubility
WLOGP
2.63
MLOGP
2.33
XLogP3
2.7
Consensus LogP
2.55
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4
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