CAS RN: 1642303-38-5
PDE1-IN-1 (phosphate)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250815 | 2mg / 5mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1642303-38-5
- Purity/Analytical Methods: >99.0%
1642303-38-5 / (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;phosphoric acid
Basic Information
CAS
1642303-38-5
Multi CAS
No
Molecular Formula
C29H29FN7O5P
Molecular Weight
605.600000
Exact Mass
605.195182
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.OP(=O)(O)O
InChI
InChI=1S/C29H26FN7O.H3O4P/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;1-5(2,3)4/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3;(H3,1,2,3,4)/t22-,23+;/m1./s1
InChIKey
ZPIAAFIYOPWWJL-RFPXDPOKSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
23
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
4
Molar refractivity
158.38
TPSA
156.41
LogP / Solubility
WLOGP
4.13
MLOGP
3.68
XLogP3
4.13
Consensus LogP
3.98
Log S (ESOL)
-6.26
Class (ESOL)
Insoluble
Log S (Ali)
-7.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.62
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.48
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
7
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![CAS 1642330-73-1 11,12-Dihydro-11-(1,1-dipheny-3-yl)-indolo[2,3-a]carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1642330-73-1.gif)
