CAS RN: 449172-61-6
9-O-Acetyl-fargesol
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.20260521 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS449172-61-6
- Purity/Analytical Methods: >99.0%
449172-61-6 / [2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)-hydroxymethyl]oxolan-3-yl]methyl acetate
Basic Information
CAS
449172-61-6
Multi CAS
Yes
Molecular Formula
C24H30O8
Molecular Weight
446.500000
Exact Mass
446.194068
InChI
InChI=1S/C24H30O8/c1-14(25)31-13-18-17(23(26)15-6-8-19(27-2)21(10-15)29-4)12-32-24(18)16-7-9-20(28-3)22(11-16)30-5/h6-11,17-18,23-24,26H,12-13H2,1-5H3/t17-,18+,23-,24-/m1/s1
InChIKey
NKLSPZQYPWFUIO-GRJZNYKUSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
1
Molar refractivity
116.36
TPSA
92.68
LogP / Solubility
WLOGP
3.32
MLOGP
2.95
XLogP3
2.5
Consensus LogP
2.92
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.4
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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