![CAS 717132-49-5 Gal[246Bn]β(1-4)Glc[236Bn]-β-MP molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m1727-jpgcontextbwfzdgvyfhjvb3r8mzeyndl8aw1hz2uvanblz3xoymevagyzlzg5mze0ndg3odi4nzgvtte3mjcuanbnfge3ytfiymjhmtzhntdjntbhotfimwq5mznlogq3yti2mtkwoguwm2uwztgzntfiyzcxzmzhztg0yzm0nwjhzjy.jpeg)
CAS RN: 717132-49-5
Gal[246Bn]β(1-4)Glc[236Bn]-β-MP
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.20250328 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTM1727
- Purity/Analytical Methods: >95.0%(HPLC)
717132-49-5 / (2S,3S,4S,5R,6S)-2-[(2S,3R,4S,5S,6S)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
Basic Information
CAS
717132-49-5
Multi CAS
Yes
Molecular Formula
C61H64O12
Molecular Weight
989.100000
Exact Mass
988.439777
InChI
InChI=1S/C61H64O12/c1-63-50-32-34-51(35-33-50)70-61-59(69-41-49-30-18-7-19-31-49)58(68-40-48-28-16-6-17-29-48)56(53(72-61)43-65-37-45-22-10-3-11-23-45)73-60-57(67-39-47-26-14-5-15-27-47)54(62)55(66-38-46-24-12-4-13-25-46)52(71-60)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+/m0/s1
InChIKey
CJVYJAHFFHWMAB-FKMGSUDKSA-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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