CAS RN: 4720-09-6
ANDROMEDOTOXIN
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260309 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS4720-09-6
- Purity/Analytical Methods: >99.0%
4720-09-6 / (3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl) acetate
Basic Information
CAS
4720-09-6
Multi CAS
Yes
Molecular Formula
C22H36O7
Molecular Weight
412.500000
Exact Mass
412.246103
InChI
InChI=1S/C22H36O7/c1-11(23)29-17-12-6-7-13-20(5,27)14-8-15(24)18(2,3)22(14,28)16(25)9-21(13,17)10-19(12,4)26/h12-17,24-28H,6-10H2,1-5H3/t12-,13+,14+,15+,16-,17-,19-,20-,21+,22+/m1/s1
InChIKey
NXCYBYJXCJWMRY-VGBBEZPXSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.95
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
5
Molar refractivity
103.53
TPSA
127.45
LogP / Solubility
WLOGP
0.74
MLOGP
0.68
XLogP3
0.8
Consensus LogP
0.74
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
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)
-4.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10
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