CAS RN: 63399-37-1
3-Acetoxy-8(17),13E-labdadien-15-oic 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.20250828 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS63399-37-1
- Purity/Analytical Methods: >99.0%
63399-37-1 / (E)-5-(6-acetyloxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enoic acid
Basic Information
CAS
63399-37-1
Multi CAS
Yes
Molecular Formula
C22H34O4
Molecular Weight
362.500000
Exact Mass
362.245710
InChI
InChI=1S/C22H34O4/c1-14(13-20(24)25)7-9-17-15(2)8-10-18-21(4,5)19(26-16(3)23)11-12-22(17,18)6/h13,17-19H,2,7-12H2,1,3-6H3,(H,24,25)/b14-13+
InChIKey
OMNJRQNCWHCCBZ-BUHFOSPRSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.73
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
102.66
TPSA
63.6
LogP / Solubility
WLOGP
5.14
MLOGP
4.54
XLogP3
5.3
Consensus LogP
4.99
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.88
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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