CAS RN: 1615-91-4
HOP-22(29)-ENE
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.20251020 | 1ml | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1615-91-4
- Purity/Analytical Methods: >99.0%
1615-91-4 / (3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
Basic Information
CAS
1615-91-4
Multi CAS
No
Molecular Formula
C30H50
Molecular Weight
410.700000
Exact Mass
410.391252
SMILES
CC(=C)[C@H]1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C
InChI
InChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h21-25H,1,9-19H2,2-8H3/t21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1
InChIKey
HHXYJYBYNZMZKX-PYQRSULMSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.93
Rotatable bonds
1
Molar refractivity
129.26
TPSA
0.0000
LogP / Solubility
WLOGP
9.05
MLOGP
7.99
XLogP3
11.4
Consensus LogP
9.48
Log S (ESOL)
-8.02
Class (ESOL)
Insoluble
Log S (Ali)
-9.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.96
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8
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