CAS RN: 4478-43-7
1,2:3,4-Di-O-isopropylidene-6-O-(p-toluenesulfonyl)-α-D-galactopyranose
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.20260509 | 1g / 5g / 25g | Out of stock | 30 business days | Inquiry |
- Product code: ICTD5458
4478-43-7 / (4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl 4-methylbenzenesulfonate
Basic Information
CAS
4478-43-7
Multi CAS
Yes
Molecular Formula
C19H26O8S
Molecular Weight
414.500000
Exact Mass
414.134839
InChI
InChI=1S/C19H26O8S/c1-11-6-8-12(9-7-11)28(20,21)22-10-13-14-15(25-18(2,3)24-14)16-17(23-13)27-19(4,5)26-16/h6-9,13-17H,10H2,1-5H3
InChIKey
CTGSZKNLORWSMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
96.84
TPSA
89.52
LogP / Solubility
WLOGP
2.1
MLOGP
1.87
XLogP3
2
Consensus LogP
1.99
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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