![CAS 1255529-28-2 EthanediaMide, N1-(5-chloro-2-pyridinyl)-N2-[(1S,2S,4R)-4-[(diMethylaMino)carbonyl]-2-[[(4,5,6,7-tetrahydro-5-Methylthiazolo[5,4-c]pyridin-2-yl)carbonyl]aMino]cyclohexyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1255529-28-2.gif)
CAS RN: 1255529-28-2
EthanediaMide, N1-(5-chloro-2-pyridinyl)-N2-[(1S,2S,4R)-4-[(diMethylaMino)carbonyl]-2-[[(4,5,6,7-tetrahydro-5-Methylthiazolo[5,4-c]pyridin-2-yl)carbonyl]aMino]cyclohexyl]-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250508 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1255529-28-2
- Purity/Analytical Methods: >99.0%
1255529-28-2 / N'-(5-chloro-2-pyridinyl)-N-[(1S,2S,4R)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
Basic Information
CAS
1255529-28-2
Multi CAS
No
Molecular Formula
C24H30ClN7O4S
Molecular Weight
548.100000
Exact Mass
547.176851
SMILES
CN1CCC2=C(C1)SC(=N2)C(=O)N[C@H]3C[C@@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C
InChI
InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15+,17+/m1/s1
InChIKey
HGVDHZBSSITLCT-KMFMINBZSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
3
Molar refractivity
139.25
TPSA
136.63
LogP / Solubility
WLOGP
1.29
MLOGP
1.18
XLogP3
1.4
Consensus LogP
1.29
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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