![CAS 1353867-99-8 4-Hydroxy-4H-furo[3,2-c]pyran-2(6H)-one-13C7 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1353867-99-8.gif)
CAS RN: 1353867-99-8
4-Hydroxy-4H-furo[3,2-c]pyran-2(6H)-one-13C7
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250910 | 1ml | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353867-99-8
- Purity/Analytical Methods: >99.0%
1353867-99-8 / 4-hydroxy-4,6-dihydro(2,3,4,5-13C4)furano[3,2-c](2,3,4,5,6-13C5)pyran-2-one
Basic Information
CAS
1353867-99-8
Multi CAS
No
Molecular Formula
C7H6O4
Molecular Weight
161.069000
Exact Mass
161.050093
SMILES
[13CH2]1[13CH]=[13C]2[13C](=[13CH][13C](=O)O2)[13CH](O1)O
InChI
InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2/i1+1,2+1,3+1,4+1,5+1,6+1,7+1
InChIKey
ZRWPUFFVAOMMNM-BNUYUSEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.29
H-bond acceptors
4
H-bond donors
1
Molar refractivity
34.22
TPSA
55.76
LogP / Solubility
WLOGP
-0.3
MLOGP
-0.27
XLogP3
-1
Consensus LogP
-0.52
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
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)
-3.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P264, P270, P280, P301+P316, P302+P352, P321, P330, P332+P317, P362+P364, P405, and P501
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