![CAS 887140-17-2 (1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2′,3′:4,5]cyclopenta[1,2-c]pyran-6-yl 4-methoxybenzoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/887140-17-2.gif)
CAS RN: 887140-17-2
(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2′,3′:4,5]cyclopenta[1,2-c]pyran-6-yl 4-methoxybenzoate
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.20251015 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS887140-17-2
- Purity/Analytical Methods: >99.0%
887140-17-2 / [(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-methoxybenzoate
Basic Information
CAS
887140-17-2
Multi CAS
No
Molecular Formula
C23H28O12
Molecular Weight
496.500000
Exact Mass
496.158076
InChI
InChI=1S/C23H28O12/c1-30-11-4-2-10(3-5-11)20(29)33-18-12-6-7-31-21(14(12)23(9-25)19(18)35-23)34-22-17(28)16(27)15(26)13(8-24)32-22/h2-7,12-19,21-22,24-28H,8-9H2,1H3/t12-,13-,14-,15-,16+,17-,18+,19+,21+,22+,23-/m1/s1
InChIKey
DGJXDWUGRJXZJN-QVKWQPFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
7
H-bond acceptors
12
H-bond donors
5
Molar refractivity
112.73
TPSA
176.9
LogP / Solubility
WLOGP
-1.72
MLOGP
-1.48
XLogP3
-1
Consensus LogP
-1.4
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9
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![CAS 887147-19-5 4,6-dichloro-1-Methyl-1H-iMidazo[4,5-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/887147-19-5.gif)
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