CAS RN: 2380274-50-8
INDEX NAME NOT YET ASSIGNED
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8 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260131 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260329 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260228 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20251224 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250505 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251101 | 25mg / 50mg / 100mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250423 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250629 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2380274-50-8
- Purity/Analytical Methods: >99.0%
2380274-50-8 / (2S,4R)-1-[(2S)-2-[[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
Basic Information
CAS
2380274-50-8
Multi CAS
No
Molecular Formula
C39H49N9O5S
Molecular Weight
755.900000
Exact Mass
755.357737
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CN4CCN(CC4)C5=CC(=NN=C5N)C6=CC=CC=C6O)O
InChI
InChI=1S/C39H49N9O5S/c1-23(25-10-12-26(13-11-25)34-24(2)41-22-54-34)42-37(52)31-18-27(49)20-48(31)38(53)35(39(3,4)5)43-33(51)21-46-14-16-47(17-15-46)30-19-29(44-45-36(30)40)28-8-6-7-9-32(28)50/h6-13,19,22-23,27,31,35,49-50H,14-18,20-21H2,1-5H3,(H2,40,45)(H,42,52)(H,43,51)/t23-,27+,31-,35+/m0/s1
InChIKey
HDCCMCFIGHIDJR-TUDDPRDOSA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Aromatic heavy atom count
23
Fraction Csp3
0.44
Rotatable bonds
10
H-bond acceptors
12
H-bond donors
5
Molar refractivity
208.55
TPSA
190.14
LogP / Solubility
WLOGP
3.36
MLOGP
3.02
XLogP3
3.3
Consensus LogP
3.23
Log S (ESOL)
-6.3
Class (ESOL)
Insoluble
Log S (Ali)
-8.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.56
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)
-4.95
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
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