CAS RN: 1038984-31-4
CX-1632
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.20251020 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1038984-31-4
- Purity/Analytical Methods: >99.0%
1038984-31-4 / 8-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-7H-[1,3]oxazino[6,5-g][1,2,3]benzotriazine-4,9-dione
8-cyclopropyl-3-(2-(3-fluorophenyl)ethyl)-7,8-dihydro-3H-(1,3)oxazino(6,5-g)(1,2,3)benzotriazine-4,9-dione | 8-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-7,8-dihydro-3h-[1,3]oxazino[6,5-g][1,2,3]benzotriazine-4,9-dione | RefChem:914545
Basic Information
CAS
1038984-31-4
Multi CAS
No
Molecular Formula
C20H17FN4O3
Molecular Weight
380.400000
Exact Mass
380.128469
SMILES
C1CC1N2COC3=C(C2=O)C=C4C(=C3)C(=O)N(N=N4)CCC5=CC(=CC=C5)F
InChI
InChI=1S/C20H17FN4O3/c21-13-3-1-2-12(8-13)6-7-25-20(27)15-10-18-16(9-17(15)22-23-25)19(26)24(11-28-18)14-4-5-14/h1-3,8-10,14H,4-7,11H2
InChIKey
JHCFQXNWYDLBOG-UHFFFAOYSA-N
Synonyms
8-cyclopropyl-3-(2-(3-fluorophenyl)ethyl)-7,8-dihydro-3H-(1,3)oxazino(6,5-g)(1,2,3)benzotriazine-4,9-dione
8-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-7,8-dihydro-3h-[1,3]oxazino[6,5-g][1,2,3]benzotriazine-4,9-dione
RefChem:914545
Tulrampator
Tulrampator [INN]
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
16
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
98.59
TPSA
77.32
LogP / Solubility
WLOGP
2.13
MLOGP
1.89
XLogP3
3.5
Consensus LogP
2.51
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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