CAS RN: 101917-30-0
sodiuM 4-pentynoate
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.20251119 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS101917-30-0
- Purity/Analytical Methods: >99.0%
101917-30-0 / sodium pent-4-ynoate
sodium pent-4-ynoate | DTXSID70735352 | RefChem:380755
Basic Information
CAS
101917-30-0
Multi CAS
Yes
Molecular Formula
C5H5NaO2
Molecular Weight
120.080000
Exact Mass
120.018724
SMILES
C#CCCC(=O)[O-].[Na+]
InChI
InChI=1S/C5H6O2.Na/c1-2-3-4-5(6)7;/h1H,3-4H2,(H,6,7);/q;+1/p-1
InChIKey
IWIICCMJXWKGSG-UHFFFAOYSA-M
Synonyms
sodium pent-4-ynoate
DTXSID70735352
RefChem:380755
DTXCID10686096
sodium 4-pentynoate
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
23.07
TPSA
40.13
LogP / Solubility
WLOGP
-3.85
MLOGP
-3.39
XLogP3
-3.85
Consensus LogP
-3.7
Log S (ESOL)
1.97
Class (ESOL)
Highly soluble
Log S (Ali)
2.23
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.51
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-6.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
Hydroxy Pioglitazone (M-II) (Mixture of Diastereomers)
- CAS RN: 101931-00-4
- Product Code: starshine_CAS101931-00-4
- Purity/Analytical method: >99.0%
-
-
-
3-HYDROXYPROPYLNICOTINATE
- CAS RN: 101952-65-2
- Product Code: starshine_CAS101952-65-2
- Purity/Analytical method: >99.0%
