CAS RN: 149707-75-5
2,3,4,6-Tetra-O-benzoyl-1-O-(2,2,2-trichloroethanimidoyl)-α-D-glucopyranose
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.20260119 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS149707-75-5
- Purity/Analytical Methods: >99.0%
149707-75-5 / [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl benzoate
Basic Information
CAS
149707-75-5
Multi CAS
No
Molecular Formula
C36H28Cl3NO10
Molecular Weight
741.000000
Exact Mass
739.077879
SMILES
C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC(=N)C(Cl)(Cl)Cl)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI
InChI=1S/C36H28Cl3NO10/c37-36(38,39)35(40)50-34-29(49-33(44)25-19-11-4-12-20-25)28(48-32(43)24-17-9-3-10-18-24)27(47-31(42)23-15-7-2-8-16-23)26(46-34)21-45-30(41)22-13-5-1-6-14-22/h1-20,26-29,34,40H,21H2/t26-,27-,28+,29-,34-/m1/s1
InChIKey
KTHFOWIANASXOK-UCDCFHRCSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
24
Fraction Csp3
0.19
Rotatable bonds
10
H-bond acceptors
11
H-bond donors
1
Molar refractivity
181.42
TPSA
147.51
LogP / Solubility
WLOGP
6.61
MLOGP
5.88
XLogP3
9.2
Consensus LogP
7.23
Log S (ESOL)
-8.29
Class (ESOL)
Insoluble
Log S (Ali)
-10.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
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![CAS 149709-59-1 (R,E)-ethyl 5-([1,1′-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpent-2-enoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/149709-59-1.gif)
