CAS RN: 632-07-5
Propanoic acid, 2-cyano-
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-172782
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
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Beijing | Inquiry |
632-07-5 / 2-cyanopropanoic acid
Basic Information
CAS
632-07-5
Multi CAS
No
Molecular Formula
C4H5NO2
Molecular Weight
99.090000
Exact Mass
99.032028
InChI
InChI=1S/C4H5NO2/c1-3(2-5)4(6)7/h3H,1H3,(H,6,7)
InChIKey
JDEFPFLTCXIVDH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
22.41
TPSA
61.09
LogP / Solubility
WLOGP
0.23
MLOGP
0.19
XLogP3
0.2
Consensus LogP
0.21
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.62
Class (SILICOS-IT)
Very 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)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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- CAS RN: 632-32-6
- Product Code: starshine_CAS632-32-6
- Purity/Analytical method: >99.0%
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