![CAS 150412-81-0 Gal[236Bn]β(1-4)Glc[236Bn]-β-MP molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m1726-jpgcontextbwfzdgvyfhjvb3r8mza0odn8aw1hz2uvanblz3xozjkvagyylzg5mze0ndg3mtczndivtte3mjyuanbnfdy2mta2zjq1owfiyznizme3mze1mwjlytg0odqwotq0mduzogizzdaynwqyzdy1ymqxmtiyywmwzwviytmwmwi.jpeg)
CAS RN: 150412-81-0
Gal[236Bn]β(1-4)Glc[236Bn]-β-MP
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250830 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTM1726
- Purity/Analytical Methods: >92.0%(HPLC)
150412-81-0 / (2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5R,6S)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol
Basic Information
CAS
150412-81-0
Multi CAS
No
Molecular Formula
C61H64O12
Molecular Weight
989.100000
Exact Mass
988.439777
SMILES
COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COCC5=CC=CC=C5)O)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9
InChI
InChI=1S/C61H64O12/c1-63-50-32-34-51(35-33-50)70-60-59(69-41-49-30-18-7-19-31-49)57(67-39-47-26-14-5-15-27-47)55(53(72-60)43-65-37-45-22-10-3-11-23-45)73-61-58(68-40-48-28-16-6-17-29-48)56(66-38-46-24-12-4-13-25-46)54(62)52(71-61)42-64-36-44-20-8-2-9-21-44/h2-35,52-62H,36-43H2,1H3/t52-,53-,54+,55-,56+,57+,58-,59-,60-,61+/m1/s1
InChIKey
GEVBSODSBYNKQA-IMBADGMBSA-N
Computed Properties
Structural Parameters
Heavy atom count
73
Aromatic heavy atom count
42
Fraction Csp3
0.31
Rotatable bonds
25
H-bond acceptors
12
H-bond donors
1
Molar refractivity
274.1
TPSA
121.76
LogP / Solubility
WLOGP
10.05
MLOGP
8.93
XLogP3
9.2
Consensus LogP
9.39
Log S (ESOL)
-11.08
Class (ESOL)
Insoluble
Log S (Ali)
-14.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.43
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
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