CAS RN: 1234703-40-2
LY-2608204
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250722 | 5mg / 10mg / 50mg | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS1234703-40-2
- Purity/Analytical Methods: >99.0%
1234703-40-2 / trans-(1R,2S)-2-cyclohexyl-1-(4-cyclopropylsulfonylphenyl)-N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
Basic Information
CAS
1234703-40-2
Multi CAS
No
Molecular Formula
C28H37N3O3S3
Molecular Weight
559.800000
Exact Mass
559.199706
SMILES
C1CCC(CC1)[C@@H]2C[C@@]2(C3=CC=C(C=C3)S(=O)(=O)C4CC4)C(=O)NC5=NC=C(S5)SCCN6CCCC6
InChI
InChI=1S/C28H37N3O3S3/c32-26(30-27-29-19-25(36-27)35-17-16-31-14-4-5-15-31)28(18-24(28)20-6-2-1-3-7-20)21-8-10-22(11-9-21)37(33,34)23-12-13-23/h8-11,19-20,23-24H,1-7,12-18H2,(H,29,30,32)/t24-,28-/m0/s1
InChIKey
QIIVJLHCZUTGSD-CUBQBAPOSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
11
Fraction Csp3
0.64
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
1
Molar refractivity
150.15
TPSA
79.37
LogP / Solubility
WLOGP
5.74
MLOGP
5.1
XLogP3
6.2
Consensus LogP
5.68
Log S (ESOL)
-6.49
Class (ESOL)
Insoluble
Log S (Ali)
-8.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.27
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.06
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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