CAS RN: 115028-67-6
Pseudolaric acid D
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250804 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS115028-67-6
- Purity/Analytical Methods: >99.0%
115028-67-6 / (1S,4S,5S,9S,10S,13R)-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14-carboxylic acid
(1S,4S,5S,9S,10S,13R)-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0^{1,10.0^{4,9]hexadec-14-ene-14-carboxylic acid
Basic Information
CAS
115028-67-6
Multi CAS
Yes
Molecular Formula
C20H30O3
Molecular Weight
318.400000
Exact Mass
318.219495
SMILES
C[C@@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C4)C(=O)O)C)CO
InChI
InChI=1S/C20H30O3/c1-18(12-21)7-3-8-19(2)15(18)6-9-20-10-13(4-5-16(19)20)14(11-20)17(22)23/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)/t13-,15-,16+,18-,19-,20+/m1/s1
InChIKey
WUENWZUJMIZJPA-UBTCDGAASA-N
Synonyms
(1S,4S,5S,9S,10S,13R)-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0^{1,10.0^{4,9]hexadec-14-ene-14-carboxylic acid
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
88.86
TPSA
57.53
LogP / Solubility
WLOGP
4.01
MLOGP
3.55
XLogP3
4.8
Consensus LogP
4.12
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9
Customers Also Viewed
-
-
(S)-2-(7′-octenyl) glycine
- CAS RN: 115042-85-8
- Product Code: starshine_CAS115042-85-8
- Purity/Analytical method: >99.0%
-
CALMODULIN-DEPENDENT PROTEIN KINASE II (290-309)
- CAS RN: 115044-69-4
- Product Code: starshine_CAS115044-69-4
- Purity/Analytical method: >99.0%
-
-
DESMETHYLXANTHOHUMOL
- CAS RN: 115063-39-3
- Product Code: starshine_CAS115063-39-3
- Purity/Analytical method: >99.0%
-
Thieno[3,2-b]pyridin-6-amine (9CI)
- CAS RN: 115063-92-8
- Product Code: starshine_CAS115063-92-8
- Purity/Analytical method: >99.0%
![CAS 115063-92-8 Thieno[3,2-b]pyridin-6-amine (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/115063-92-8.gif)