CAS RN: 2230197-64-3
GLP-1 receptor agonist-1
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250904 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2230197-64-3
- Purity/Analytical Methods: >99.0%
2230197-64-3 / 2-[[(2S)-4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-methylpiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
Basic Information
CAS
2230197-64-3
Multi CAS
No
Molecular Formula
C30H31ClFN5O4
Molecular Weight
580.000000
Exact Mass
579.204860
SMILES
C[C@H]1CN(CCN1CC2=NC3=C(N2C[C@@H]4CCO4)C=C(C=C3)C(=O)O)C5=NC(=CC=C5)OCC6=C(C=C(C=C6)Cl)F
InChI
InChI=1S/C30H31ClFN5O4/c1-19-15-36(27-3-2-4-29(34-27)41-18-21-5-7-22(31)14-24(21)32)11-10-35(19)17-28-33-25-8-6-20(30(38)39)13-26(25)37(28)16-23-9-12-40-23/h2-8,13-14,19,23H,9-12,15-18H2,1H3,(H,38,39)/t19-,23-/m0/s1
InChIKey
IGXAOFNNKAUXCJ-CVDCTZTESA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
21
Fraction Csp3
0.37
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
1
Molar refractivity
153.11
TPSA
92.95
LogP / Solubility
WLOGP
5
MLOGP
4.45
XLogP3
2.4
Consensus LogP
3.95
Log S (ESOL)
-6.37
Class (ESOL)
Insoluble
Log S (Ali)
-7.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.66
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
6.5
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![CAS 2230200-72-1 Benzoic acid, 4-nitro-3-[[(2S)-2-oxetanylmethyl]amino]-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2230200-72-1.gif)
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