![CAS 34029-31-7 [(S)-dihydro-2,5-dioxo-3-furyl]ammonium chloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/34029-31-7(2).gif)
CAS RN: 34029-31-7
[(S)-dihydro-2,5-dioxo-3-furyl]ammonium chloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260608 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS34029-31-7
- Purity/Analytical Methods: >99.0%
34029-31-7 / [(3S)-2,5-dioxooxolan-3-yl]azanium chloride
Basic Information
CAS
34029-31-7
Multi CAS
Yes
Molecular Formula
C4H6CLNO3
Molecular Weight
151.550000
Exact Mass
151.003621
InChI
InChI=1S/C4H5NO3.ClH/c5-2-1-3(6)8-4(2)7;/h2H,1,5H2;1H/t2-;/m0./s1
InChIKey
ZUOVTYLEICKQDF-DKWTVANSSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
22.39
TPSA
71.01
LogP / Solubility
WLOGP
-4.93
MLOGP
-4.34
XLogP3
-4.93
Consensus LogP
-4.73
Log S (ESOL)
2.32
Class (ESOL)
Highly soluble
Log S (Ali)
2.75
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.44
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)
-7.14
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
2
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