CAS RN: 134476-74-7
Richeic acid
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.20250818 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS134476-74-7
- Purity/Analytical Methods: >99.0%
134476-74-7 / 3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-6,9a,9b-trimethyl-3-[(2S,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
Basic Information
CAS
134476-74-7
Multi CAS
No
Molecular Formula
C30H48O3
Molecular Weight
456.700000
Exact Mass
456.360345
SMILES
CC(=C)[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC(=O)O)CC[C@H]3[C@]2(CC[C@@H]3[C@@]4(CC[C@H](O4)C(=C)C)C)C)C
InChI
InChI=1S/C30H48O3/c1-19(2)21-11-17-29(7)25(27(21,5)15-14-26(31)32)10-9-22-23(12-16-28(22,29)6)30(8)18-13-24(33-30)20(3)4/h21-25H,1,3,9-18H2,2,4-8H3,(H,31,32)
InChIKey
ROONGBAFVTVDKQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
134.99
TPSA
46.53
LogP / Solubility
WLOGP
7.81
MLOGP
6.9
XLogP3
8.6
Consensus LogP
7.77
Log S (ESOL)
-7.19
Class (ESOL)
Insoluble
Log S (Ali)
-8.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.83
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)
0.04
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
7.5
