CAS RN: 97399-95-6
Paniculidine C
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.20250523 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS97399-95-6
- Purity/Analytical Methods: >99.0%
97399-95-6 / 4-(1H-indol-3-yl)-2-methylbutan-1-ol
Basic Information
CAS
97399-95-6
Multi CAS
Yes
Molecular Formula
C13H17NO
Molecular Weight
203.280000
Exact Mass
203.131014
InChI
InChI=1S/C13H17NO/c1-10(9-15)6-7-11-8-14-13-5-3-2-4-12(11)13/h2-5,8,10,14-15H,6-7,9H2,1H3
InChIKey
OJDRKMFRRDQIRV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
2
Molar refractivity
62.87
TPSA
36.02
LogP / Solubility
WLOGP
2.73
MLOGP
2.4
XLogP3
2.9
Consensus LogP
2.68
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
cynatratoside A
- CAS RN: 97399-96-7
- Product Code: starshine_CAS97399-96-7
- Purity/Analytical method: >99.0%
-
1-[(3-aminopropyl)amino]anthraquinone, monohydrochloride
- CAS RN: 97404-14-3
- Product Code: starshine_CAS97404-14-3
- Purity/Analytical method: >99.0%
-
(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione
- CAS RN: 97411-46-6
- Product Code: starshine_CAS97411-46-6
- Purity/Analytical method: >99.0%
-
Cistanoside F
- CAS RN: 97411-47-7
- Product Code: starshine_CAS97411-47-7
- Purity/Analytical method: >99.0%
-
2′,3′-Dehydrosalannol
- CAS RN: 97411-50-2
- Product Code: starshine_CAS97411-50-2
- Purity/Analytical method: >99.0%
-
1H-Benzimidazole-1-aceticacid,hydrazide(9CI)
- CAS RN: 97420-39-8
- Product Code: starshine_CAS97420-39-8
- Purity/Analytical method: >99.0%
![CAS 97404-14-3 1-[(3-aminopropyl)amino]anthraquinone, monohydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/97404-14-3.gif)
![CAS 97411-46-6 (6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/97411-46-6.gif)
