CAS RN: 943638-20-8
2-C-Methyl-3,5-bis-O-(4-methylbenzoyl)-D-ribofuranose
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.20250612 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: LINC930012
943638-20-8 / [(2R,3R,4R)-4,5-dihydroxy-4-methyl-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
Basic Information
CAS
943638-20-8
Multi CAS
No
Molecular Formula
C22H24O7
Molecular Weight
400.400000
Exact Mass
400.152203
InChI
InChI=1S/C22H24O7/c1-13-4-8-15(9-5-13)19(23)27-12-17-18(22(3,26)21(25)28-17)29-20(24)16-10-6-14(2)7-11-16/h4-11,17-18,21,25-26H,12H2,1-3H3/t17-,18-,21?,22-/m1/s1
InChIKey
HEHGVXRSPLTBLD-QVUFTONESA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
103.35
TPSA
102.29
LogP / Solubility
WLOGP
2.15
MLOGP
1.92
XLogP3
2.9
Consensus LogP
2.32
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-3.63
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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