CAS RN: 3772-56-3
14-Isopropylpodocarpa-8,11,13-triene-3β,13-diol
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.20260214 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS3772-56-3
- Purity/Analytical Methods: >99.0%
3772-56-3 / 1,1,4a-trimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol
Basic Information
CAS
3772-56-3
Multi CAS
Yes
Molecular Formula
C20H30O2
Molecular Weight
302.500000
Exact Mass
302.224580
InChI
InChI=1S/C20H30O2/c1-12(2)18-13-6-9-16-19(3,4)17(22)10-11-20(16,5)14(13)7-8-15(18)21/h7-8,12,16-17,21-22H,6,9-11H2,1-5H3
InChIKey
NORGIWDZGWMMGU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
90.38
TPSA
40.46
LogP / Solubility
WLOGP
4.52
MLOGP
3.99
XLogP3
5.2
Consensus LogP
4.57
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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- CAS RN: 3774-64-9
- Product Code: starshine_CAS3774-64-9
- Purity/Analytical method: >99.0%
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