CAS RN: 6731-58-4
ethyl 2-cyano-3-phenyl-propanoate
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.20250531 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-177021
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
6731-58-4 / ethyl 2-cyano-3-phenylpropanoate
Basic Information
CAS
6731-58-4
Multi CAS
Yes
Molecular Formula
C12H13NO2
Molecular Weight
203.240000
Exact Mass
203.094629
InChI
InChI=1S/C12H13NO2/c1-2-15-12(14)11(9-13)8-10-6-4-3-5-7-10/h3-7,11H,2,8H2,1H3
InChIKey
SYKQOFCBFHMCJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
55.88
TPSA
50.09
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
2.4
Consensus LogP
2.01
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-2.59
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
-
4-METHYLUMBELLIFERYL-BETA-D-XYLOPYRANOSIDE
- CAS RN: 6734-33-4
- Product Code: starshine_CAS6734-33-4
- Purity/Analytical method: >99.0%
-
-
(2S,4S)-1,4-dimethylpyrrolidine-2-carboxylic acid hydrochloride
- CAS RN: 6734-42-5
- Product Code: starshine_CAS6734-42-5
- Purity/Analytical method: >99.0%
-
N-(n-Propyl)diethanolamine,[N,N-Bis(2-hydroxyethyl)-n-propylamine]
- CAS RN: 6735-35-9
- Product Code: starshine_CAS6735-35-9
- Purity/Analytical method: >99.0%
-
N-Methyl-5-methylamino-1H-imidazole-4-carboxamide
- CAS RN: 6736-40-9
- Product Code: SSC-177068
-
3-DEAZAADENOSINE
- CAS RN: 6736-58-9
- Product Code: starshine_CAS6736-58-9
- Purity/Analytical method: >99.0%
![CAS 6735-35-9 N-(n-Propyl)diethanolamine,[N,N-Bis(2-hydroxyethyl)-n-propylamine] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6735-35-9.gif)
