CAS RN: 914221-64-0
Methyl 4-chloro-2-(N-methyl-N-phenylsulphonamide)benzoate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251101 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS914221-64-0
- Purity/Analytical Methods: >99.0%
914221-64-0 / methyl 4-chloro-2-[methyl(phenyl)sulfamoyl]benzoate
Basic Information
CAS
914221-64-0
Multi CAS
Yes
Molecular Formula
C15H14CLNO4S
Molecular Weight
339.800000
Exact Mass
339.033207
InChI
InChI=1S/C15H14ClNO4S/c1-17(12-6-4-3-5-7-12)22(19,20)14-10-11(16)8-9-13(14)15(18)21-2/h3-10H,1-2H3
InChIKey
BABMBGBBQJFFFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
84.82
TPSA
63.68
LogP / Solubility
WLOGP
2.95
MLOGP
2.61
XLogP3
3.1
Consensus LogP
2.89
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
2-BROMO-5-NITRONICOTINIC ACID
- CAS RN: 914222-92-7
- Product Code: starshine_CAS914222-92-7
- Purity/Analytical method: >99.0%
-
-
-
2-bromo-4-(tert-butoxy)-4-oxobutanoic acid
- CAS RN: 914224-26-3
- Product Code: starshine_CAS914224-26-3
- Purity/Analytical method: >99.0%
-
