CAS RN: 529-64-6
Tropic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251013 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: starshine_CAS529-64-6
- Purity/Analytical Methods: >99.0%
529-64-6 / 3-hydroxy-2-phenylpropanoic acid
Basic Information
CAS
529-64-6
Multi CAS
Yes
Molecular Formula
C9H10O3
Molecular Weight
166.170000
Exact Mass
166.062994
InChI
InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)
InChIKey
JACRWUWPXAESPB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.9
TPSA
57.53
LogP / Solubility
WLOGP
0.85
MLOGP
0.74
XLogP3
0.8
Consensus LogP
0.8
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
ISOXANTHOPTERIN
- CAS RN: 529-69-1
- Product Code: starshine_CAS529-69-1
- Purity/Analytical method: >99.0%
-
Anthracen-9-ol
- CAS RN: 529-86-2
- Product Code: starshine_CAS529-86-2
- Purity/Analytical method: >99.0%
-
PYRIDOXAMINE-5′-PHOSPHATE
- CAS RN: 529-96-4
- Product Code: starshine_CAS529-96-4
- Purity/Analytical method: >99.0%
-
L-PICEIN
- CAS RN: 530-14-3
- Product Code: starshine_CAS530-14-3
- Purity/Analytical method: >99.0%
-
MANNOSE
- CAS RN: 530-26-7
- Product Code: starshine_CAS530-26-7
- Purity/Analytical method: >99.0%
-
