CAS RN: 7329-77-3
RARECHEM AL BE 0219
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.20250327 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS7329-77-3
- Purity/Analytical Methods: >99.0%
7329-77-3 / 4-(2-phenylethenyl)benzoic acid
Basic Information
CAS
7329-77-3
Multi CAS
Yes
Molecular Formula
C15H12O2
Molecular Weight
224.250000
Exact Mass
224.083730
InChI
InChI=1S/C15H12O2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,(H,16,17)
InChIKey
IAGXTPCOGVFRSQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.77
TPSA
37.3
LogP / Solubility
WLOGP
3.56
MLOGP
3.13
XLogP3
4
Consensus LogP
3.56
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly 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)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
UDP–D-Glucose (sodium salt)
- CAS RN: 7333-33-7
- Product Code: starshine_CAS7333-33-7
- Purity/Analytical method: >99.0%
-
-
CYCLOPENTYLTRIPHENYLPHOSPHONIUM BROMIDE
- CAS RN: 7333-52-0
- Product Code: starshine_CAS7333-52-0
- Purity/Analytical method: >99.0%
