CAS RN: 1802220-02-5
TPX-0005
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250307 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260521 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250321 | 10mg / 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20260504 | 1g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20251026 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260430 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260612 | 50mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260106 | 5g | In stock | Shanghai | Inquiry |
| Batchno.20260108 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1802220-02-5
- Purity/Analytical Methods: >99.0%
1802220-02-5 / (3R,11S)-6-fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one
Basic Information
CAS
1802220-02-5
Multi CAS
No
Molecular Formula
C18H18FN5O2
Molecular Weight
355.400000
Exact Mass
355.144453
SMILES
C[C@H]1CNC(=O)C2=C3N=C(C=CN3N=C2)N[C@@H](C4=C(O1)C=CC(=C4)F)C
InChI
InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1
InChIKey
FIKPXCOQUIZNHB-WDEREUQCSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.28
H-bond acceptors
6
H-bond donors
2
Molar refractivity
93.85
TPSA
80.55
LogP / Solubility
WLOGP
2.55
MLOGP
2.26
XLogP3
2.1
Consensus LogP
2.3
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5
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