![CAS 1217461-14-7 Riboflavin-[13C4,15N2] (Vitamin B2-[13C4,15N2]) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1217461-14-7.gif)
CAS RN: 1217461-14-7
Riboflavin-[13C4,15N2] (Vitamin B2-[13C4,15N2])
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.20250620 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1217461-14-7
- Purity/Analytical Methods: >99.0%
1217461-14-7 / 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
Basic Information
CAS
1217461-14-7
Multi CAS
No
Molecular Formula
C17H20N4O6
Molecular Weight
382.320000
Exact Mass
382.145774
SMILES
CC1=CC2=C(C=C1C)N([13C]3=[15N][13C](=O)[15NH][13C](=O)[13C]3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1/i13+1,15+1,16+1,17+1,19+1,20+1
InChIKey
AUNGANRZJHBGPY-HAIGJTSVSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
14
Fraction Csp3
0.41
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
5
Molar refractivity
95.62
TPSA
161.56
LogP / Solubility
WLOGP
-1.72
MLOGP
-1.5
XLogP3
-1.5
Consensus LogP
-1.57
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
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)
-6.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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