CAS RN: 554-87-0
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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.20260106 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS554-87-0
- Purity/Analytical Methods: >99.0%
554-87-0 / methyl (E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
Basic Information
CAS
554-87-0
Multi CAS
Yes
Molecular Formula
C16H20O8
Molecular Weight
340.320000
Exact Mass
340.115818
InChI
InChI=1S/C16H20O8/c1-22-12(18)7-4-9-2-5-10(6-3-9)23-16-15(21)14(20)13(19)11(8-17)24-16/h2-7,11,13-17,19-21H,8H2,1H3/b7-4+/t11-,13-,14+,15-,16-/m1/s1
InChIKey
KPYQJVYNSWDFQU-ORXIWHNOSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
4
Molar refractivity
81.89
TPSA
125.68
LogP / Solubility
WLOGP
-0.95
MLOGP
-0.82
XLogP3
0.4
Consensus LogP
-0.46
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5
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(+/-)-2-PROPYLPIPERIDINE HYDROCHLORIDE
- CAS RN: 555-92-0
- Product Code: starshine_CAS555-92-0
- Purity/Analytical method: >99.0%
