CAS RN: 1160521-50-5
PDE4 (R)-(-)-RolipraM
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.20260512 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1160521-50-5
- Purity/Analytical Methods: >99.0%
1160521-50-5 / (11R,15S)-5-anilino-4-[[4-(6-fluoro-2-pyridinyl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
Lenrispodun | ITI-214 free base | ITI-214
Basic Information
CAS
1160521-50-5
Multi CAS
Yes
Molecular Formula
C29H26FN7O
Molecular Weight
507.600000
Exact Mass
507.218287
SMILES
CN1C(=O)C2=C(N(N=C2N3C1=N[C@H]4[C@@H]3CCC4)CC5=CC=C(C=C5)C6=NC(=CC=C6)F)NC7=CC=CC=C7
InChI
InChI=1S/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/m1/s1
InChIKey
BBIPVJCGIASXJB-PKTZIBPZSA-N
Synonyms
Lenrispodun
ITI-214 free base
ITI-214
ITI-214F
3GBO34D1BE
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
23
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
144.12
TPSA
78.65
LogP / Solubility
WLOGP
5.06
MLOGP
4.49
XLogP3
5.1
Consensus LogP
4.88
Log S (ESOL)
-6.29
Class (ESOL)
Insoluble
Log S (Ali)
-7.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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