CAS RN: 691009-85-5
“16-Hydroxy-8(17),13-labdadien-15,16-olid-19-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.20260414 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS691009-85-5
- Purity/Analytical Methods: >99.0%
691009-85-5 / (1S,4aR,5S,8aR)-5-[2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Basic Information
CAS
691009-85-5
Multi CAS
Yes
Molecular Formula
C20H28O5
Molecular Weight
348.400000
Exact Mass
348.193674
InChI
InChI=1S/C20H28O5/c1-12-5-8-15-19(2,9-4-10-20(15,3)18(23)24)14(12)7-6-13-11-16(21)25-17(13)22/h11,14-15,17,22H,1,4-10H2,2-3H3,(H,23,24)/t14-,15+,17?,19+,20-/m0/s1
InChIKey
GZTUAPFQPZVTGA-LTWMUGOISA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
92.47
TPSA
83.83
LogP / Solubility
WLOGP
3.43
MLOGP
3.04
XLogP3
3.1
Consensus LogP
3.19
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5
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![CAS 691868-81-2 2,4-BIS(TRIFLUOROMETHYL)IMIDAZO[1,2-A][1,8]NAPHTHYRIDINE-8-CARBOHYDRAZIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB8389530.gif)
![CAS 691868-88-9 8-(1,3,4-OXADIAZOL-2-YL)-2,4-BIS(TRIFLUOROMETHYL)IMIDAZO[1,2-A][1,8]NAPHTHYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2134747.gif)