CAS RN: 139264-24-7
Zolmitriptan
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.20250322 | 20mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS139264-24-7
- Purity/Analytical Methods: >99.0%
139264-24-7 / (4R)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
Basic Information
CAS
139264-24-7
Multi CAS
No
Molecular Formula
C16H21N3O2
Molecular Weight
287.360000
Exact Mass
287.163377
SMILES
CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@@H]3COC(=O)N3
InChI
InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKey
ULSDMUVEXKOYBU-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
82.53
TPSA
57.36
LogP / Solubility
WLOGP
1.92
MLOGP
1.7
XLogP3
2.2
Consensus LogP
1.94
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 139264-69-0 Zolmitriptan Related Compound B (20 mg) ((S)-2-Amino-3-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}propan-1-ol) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/139264-69-0.gif)
![CAS 139290-65-6 (R)-(+)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUORO-PHENYL)ETHYL]-4-PIPERIDINE METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/139290-65-6.gif)
