.gif)
CAS RN: 17622-86-5
Nervogenic acid
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.20260301 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS17622-86-5
- Purity/Analytical Methods: >99.0%
17622-86-5 / 4-hydroxy-3,5-bis(3-methylbut-2-enyl)benzoic acid
Basic Information
CAS
17622-86-5
Multi CAS
No
Molecular Formula
C17H22O3
Molecular Weight
274.350000
Exact Mass
274.156895
SMILES
CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C(=O)O)C
InChI
InChI=1S/C17H22O3/c1-11(2)5-7-13-9-15(17(19)20)10-14(16(13)18)8-6-12(3)4/h5-6,9-10,18H,7-8H2,1-4H3,(H,19,20)
InChIKey
LSVOBJIOONAGLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
81.34
TPSA
57.53
LogP / Solubility
WLOGP
4.11
MLOGP
3.62
XLogP3
4.9
Consensus LogP
4.21
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
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)
-1.48
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
1.5
Customers Also Viewed
-
-
Benzothiazole, 2-(1-methylethyl)- (9CI)
- CAS RN: 17626-86-7
- Product Code: starshine_CAS17626-86-7
- Purity/Analytical method: >99.0%
-
(R)-(-)-2-METHOXY-2-PHENYLETHANOL
- CAS RN: 17628-72-7
- Product Code: starshine_CAS17628-72-7
- Purity/Analytical method: >99.0%
-
-
-
EU(FOD)3
- CAS RN: 17631-68-4
- Product Code: starshine_CAS17631-68-4
- Purity/Analytical method: >99.0%
.gif)
.gif)
