![CAS 1801765-04-7 (3S,4S)-8-(6-amino-5-((2-amino-3-chloropyridin-4-yl)thio)pyrazin-2-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine 2,2,2-trifluoroacetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1801765-04-7.gif)
CAS RN: 1801765-04-7
(3S,4S)-8-(6-amino-5-((2-amino-3-chloropyridin-4-yl)thio)pyrazin-2-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine 2,2,2-trifluoroacetate
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250530 | 5mg / 25mg | Out of stock | 15 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260311 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250406 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250504 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251112 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260210 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250523 | 50mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250725 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1801765-04-7
- Purity/Analytical Methods: >99.0%
1801765-04-7 / (3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
Basic Information
CAS
1801765-04-7
Multi CAS
No
Molecular Formula
C18H24ClN7OS
Molecular Weight
421.900000
Exact Mass
421.145157
SMILES
C[C@H]1[C@H](C2(CCN(CC2)C3=CN=C(C(=N3)N)SC4=C(C(=NC=C4)N)Cl)CO1)N
InChI
InChI=1S/C18H24ClN7OS/c1-10-14(20)18(9-27-10)3-6-26(7-4-18)12-8-24-17(16(22)25-12)28-11-2-5-23-15(21)13(11)19/h2,5,8,10,14H,3-4,6-7,9,20H2,1H3,(H2,21,23)(H2,22,25)/t10-,14+/m0/s1
InChIKey
UCJZOKGUEJUNIO-IINYFYTJSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
3
Molar refractivity
111.5
TPSA
129.2
LogP / Solubility
WLOGP
2.17
MLOGP
1.94
XLogP3
1.3
Consensus LogP
1.8
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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