CAS RN: 37720-86-8
(2β,3β,14R)-2,3-Epoxygrayanotoxane-5,6β,10,14,16-pentol 14-acetate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250330 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS37720-86-8
- Purity/Analytical Methods: >99.0%
37720-86-8 / (3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-17-yl) acetate
Basic Information
CAS
37720-86-8
Multi CAS
Yes
Molecular Formula
C22H34O7
Molecular Weight
410.500000
Exact Mass
410.230453
InChI
InChI=1S/C22H34O7/c1-10(23)28-16-11-6-7-12-20(5,26)15-14-17(29-14)18(2,3)22(15,27)13(24)8-21(12,16)9-19(11,4)25/h11-17,24-27H,6-9H2,1-5H3
InChIKey
OHDPFRGZBUACTR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.95
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
4
Molar refractivity
101.57
TPSA
119.75
LogP / Solubility
WLOGP
0.76
MLOGP
0.69
XLogP3
0.3
Consensus LogP
0.58
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
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)
-4.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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- CAS RN: 37735-10-7
- Product Code: starshine_CAS37735-10-7
- Purity/Analytical method: >99.0%
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