![CAS 2173556-69-7 Carbamic acid, N-[5-[2-(acetylamino)-6-benzothiazolyl]-2-methyl-3-pyridinyl]-, cyclohexyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2173556-69-7.png)
CAS RN: 2173556-69-7
Carbamic acid, N-[5-[2-(acetylamino)-6-benzothiazolyl]-2-methyl-3-pyridinyl]-, cyclohexyl ester
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260620 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260617 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260410 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260416 | 1mg / 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20251206 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260221 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250208 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2173556-69-7
- Purity/Analytical Methods: >99.0%
2173556-69-7 / cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate
Basic Information
CAS
2173556-69-7
Multi CAS
No
Molecular Formula
C22H24N4O3S
Molecular Weight
424.500000
Exact Mass
424.156912
SMILES
CC1=C(C=C(C=N1)C2=CC3=C(C=C2)N=C(S3)NC(=O)C)NC(=O)OC4CCCCC4
InChI
InChI=1S/C22H24N4O3S/c1-13-19(26-22(28)29-17-6-4-3-5-7-17)10-16(12-23-13)15-8-9-18-20(11-15)30-21(25-18)24-14(2)27/h8-12,17H,3-7H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKey
DRCNWQYEKZTTEW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
118.87
TPSA
93.21
LogP / Solubility
WLOGP
5.51
MLOGP
4.87
XLogP3
4.2
Consensus LogP
4.86
Log S (ESOL)
-6.05
Class (ESOL)
Insoluble
Log S (Ali)
-7.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.47
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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