CAS RN: 1662688-34-7
Taberdivarine H
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.20250425 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1662688-34-7
- Purity/Analytical Methods: >99.0%
1662688-34-7 / (13E,14S,16S,18R)-13-ethylidene-11-methyl-1-aza-11-azoniapentacyclo[12.3.1.02,7.08,17.011,16]octadeca-2,4,6,8(17)-tetraene-18-carboxylate
Basic Information
CAS
1662688-34-7
Multi CAS
No
Molecular Formula
C20H22N2O2
Molecular Weight
322.400000
Exact Mass
322.168128
SMILES
C/C=C\1/C[N+]2(CCC3=C4[C@@H]2C[C@@H]1[C@@H](N4C5=CC=CC=C35)C(=O)[O-])C
InChI
InChI=1S/C20H22N2O2/c1-3-12-11-22(2)9-8-14-13-6-4-5-7-16(13)21-18(14)17(22)10-15(12)19(21)20(23)24/h3-7,15,17,19H,8-11H2,1-2H3/b12-3-/t15-,17-,19+,22?/m0/s1
InChIKey
MBYUFXAXLKULGV-SFQLIIISSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
9
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
90.21
TPSA
45.06
LogP / Solubility
WLOGP
1.96
MLOGP
1.74
XLogP3
2.8
Consensus LogP
2.17
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
7.5
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