CAS RN: 1182284-29-2
Methyl 4-(4′-chloro-4-biphenylylsulfonylaMino)benzoate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260324 | 50mg / 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1182284-29-2
- Purity/Analytical Methods: >99.0%
1182284-29-2 / methyl 4-[[4-(4-chlorophenyl)phenyl]sulfonylamino]benzoate
methyl 4-((4'-chloro-[1,1'-biphenyl])-4-sulfonamido)benzoate | methyl 4-[[4-(4-chlorophenyl)phenyl]sulfonylamino]benzoate | MFCD12923017
Basic Information
CAS
1182284-29-2
Multi CAS
No
Molecular Formula
C20H16ClNO4S
Molecular Weight
401.900000
Exact Mass
401.048857
SMILES
COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H16ClNO4S/c1-26-20(23)16-4-10-18(11-5-16)22-27(24,25)19-12-6-15(7-13-19)14-2-8-17(21)9-3-14/h2-13,22H,1H3
InChIKey
KDXLVOBOQRJJAK-UHFFFAOYSA-N
Synonyms
methyl 4-((4'-chloro-[1,1'-biphenyl])-4-sulfonamido)benzoate
methyl 4-[[4-(4-chlorophenyl)phenyl]sulfonylamino]benzoate
MFCD12923017
F9995-1156
METHYL 4-{4'-CHLORO-[1,1'-BIPHENYL]-4-SULFONAMIDO}BENZOATE
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
105.48
TPSA
72.47
LogP / Solubility
WLOGP
4.59
MLOGP
4.07
XLogP3
4.9
Consensus LogP
4.52
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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