CAS RN: 6477-44-7
apiose
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260629 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS6477-44-7
- Purity/Analytical Methods: >99.0%
6477-44-7 / 2,3,4-trihydroxy-3-(hydroxymethyl)butanal
Basic Information
CAS
6477-44-7
Multi CAS
Yes
Molecular Formula
C5H10O5
Molecular Weight
150.130000
Exact Mass
150.052823
InChI
InChI=1S/C5H10O5/c6-1-4(9)5(10,2-7)3-8/h1,4,7-10H,2-3H2/t4-/m1/s1
InChIKey
AVGPOAXYRRIZMM-SCSAIBSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
4
Molar refractivity
31.19
TPSA
97.99
LogP / Solubility
WLOGP
-2.74
MLOGP
-2.42
XLogP3
-3.1
Consensus LogP
-2.75
Log S (ESOL)
1.22
Class (ESOL)
Highly soluble
Log S (Ali)
1.19
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.16
Class (SILICOS-IT)
Highly 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)
-5.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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- CAS RN: 6480-67-7
- Product Code: starshine_CAS6480-67-7
- Purity/Analytical method: >99.0%
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