CAS RN: 875585-30-1
ent-14,15-Dir-13-oxolabda-8(17),11-dien-18-oic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260404 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS875585-30-1
- Purity/Analytical Methods: >99.0%
875585-30-1 / (1S,4aR,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[(E)-3-oxobut-1-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Basic Information
CAS
875585-30-1
Multi CAS
Yes
Molecular Formula
C18H26O3
Molecular Weight
290.400000
Exact Mass
290.188195
InChI
InChI=1S/C18H26O3/c1-12-6-9-15-17(3,14(12)8-7-13(2)19)10-5-11-18(15,4)16(20)21/h7-8,14-15H,1,5-6,9-11H2,2-4H3,(H,20,21)/b8-7+/t14-,15+,17+,18+/m1/s1
InChIKey
BQLIBSZGTNAGNT-ZRDMDAGASA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
82.88
TPSA
54.37
LogP / Solubility
WLOGP
4
MLOGP
3.53
XLogP3
3.5
Consensus LogP
3.68
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65
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
4.5
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