CAS RN: 2077170-13-7
2-((2R,3R,4R,5R,6R)-3,4,5-tris(benzyloxy)-6-((benzyloxy)methyl)tetrahydro-2H-pyran-2-yl)acetamide
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.20251205 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2077170-13-7
- Purity/Analytical Methods: >99.0%
2077170-13-7 / 2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
Basic Information
CAS
2077170-13-7
Multi CAS
No
Molecular Formula
C36H39NO6
Molecular Weight
581.700000
Exact Mass
581.277738
SMILES
C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)CC(=O)N)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C36H39NO6/c37-33(38)21-31-34(40-23-28-15-7-2-8-16-28)36(42-25-30-19-11-4-12-20-30)35(41-24-29-17-9-3-10-18-29)32(43-31)26-39-22-27-13-5-1-6-14-27/h1-20,31-32,34-36H,21-26H2,(H2,37,38)/t31-,32-,34-,35-,36-/m1/s1
InChIKey
QYXKYNRHPFLEIP-TYNWZBIMSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
24
Fraction Csp3
0.31
Rotatable bonds
15
H-bond acceptors
6
H-bond donors
1
Molar refractivity
163.63
TPSA
89.24
LogP / Solubility
WLOGP
5.6
MLOGP
4.98
XLogP3
4.4
Consensus LogP
4.99
Log S (ESOL)
-6.4
Class (ESOL)
Insoluble
Log S (Ali)
-8.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.89
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)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
7.5
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