CAS RN: 2275619-53-7
“MDL-800(MDL800)”
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260102 | 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shandong, Shanghai, Hebei | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250301 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251221 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260115 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260528 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260210 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250625 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251227 | 50mg | In stock | Shanghai, Shenzhen, Wuhan | Inquiry |
- Product code: starshine_CAS2275619-53-7
- Purity/Analytical Methods: >99.0%
2275619-53-7 / methyl 2-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]-5-[(3,5-dichlorophenyl)sulfonylamino]benzoate
Basic Information
CAS
2275619-53-7
Multi CAS
No
Molecular Formula
C21H16BrCl2FN2O6S2
Molecular Weight
626.300000
Exact Mass
623.899420
SMILES
CC1=CC(=C(C=C1NS(=O)(=O)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=CC(=C3)Cl)Cl)C(=O)OC)Br)F
InChI
InChI=1S/C21H16BrCl2FN2O6S2/c1-11-5-18(25)17(22)10-19(11)27-35(31,32)20-4-3-14(9-16(20)21(28)33-2)26-34(29,30)15-7-12(23)6-13(24)8-15/h3-10,26-27H,1-2H3
InChIKey
FKFQBYBODAKGOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
134.7
TPSA
118.64
LogP / Solubility
WLOGP
5.59
MLOGP
4.97
XLogP3
5.2
Consensus LogP
5.25
Log S (ESOL)
-7.16
Class (ESOL)
Insoluble
Log S (Ali)
-8.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.21
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)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
L-Tyrosine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O,2-dimethyl-
- CAS RN: 2276402-03-8
- Product Code: starshine_CAS2276402-03-8
- Purity/Analytical method: >99.0%
-
Cyclohexanepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4,4-difluoro-, (αS)-
- CAS RN: 2276607-04-4
- Product Code: SSC-110914
-
rac-(1R,2S)-2-(difluoromethyl)cyclopropane-1-carboxylic acid
- CAS RN: 2278284-80-1
- Product Code: SSC-110953
-
Linagliptin impurity KH-2
- CAS RN: 2279114-31-5
- Product Code: starshine_CAS2279114-31-5
- Purity/Analytical method: >99.0%
-
2-([1,1′-biphenyl]-2-yl)-4-([1,1′-biphenyl]-4-yl)-6-chloro-1,3,5-triazine
- CAS RN: 2279137-61-8
- Product Code: starshine_CAS2279137-61-8
- Purity/Analytical method: >99.0%
![CAS 2276402-03-8 L-Tyrosine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O,2-dimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2276402-03-8.gif)
![CAS 2276607-04-4 Cyclohexanepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4,4-difluoro-, (αS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2276607-04-4.gif)
![CAS 2279137-61-8 2-([1,1′-biphenyl]-2-yl)-4-([1,1′-biphenyl]-4-yl)-6-chloro-1,3,5-triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2279137-61-8.gif)