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CAS 1788874-30-5 5-Chloro-N-(2,4-dimethoxybenzyl)-2,4-difluoro-N-(5-fluorothiazol-2-yl)benzenesulfonamide molecular structure lightbox
CAS RN: 1788874-30-5

5-Chloro-N-(2,4-dimethoxybenzyl)-2,4-difluoro-N-(5-fluorothiazol-2-yl)benzenesulfonamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260506 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1788874-30-5
  • Purity/Analytical Methods: >99.0%
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1788874-30-5 / 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2,4-difluoro-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide

Standard CAS: 1788874-30-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1788874-30-5
Multi CAS
No
Molecular Formula
C18H14ClF3N2O4S2
Molecular Weight
478.900000
Exact Mass
478.003562
SMILES
COC1=CC(=C(C=C1)CN(C2=NC=C(S2)F)S(=O)(=O)C3=CC(=C(C=C3F)F)Cl)OC
InChI
InChI=1S/C18H14ClF3N2O4S2/c1-27-11-4-3-10(15(5-11)28-2)9-24(18-23-8-17(22)29-18)30(25,26)16-6-12(19)13(20)7-14(16)21/h3-8H,9H2,1-2H3
InChIKey
RERLOQDFASKPNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
17
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
106.35
TPSA
68.73

LogP / Solubility

WLOGP
4.63
MLOGP
4.1
XLogP3
4.7
Consensus LogP
4.48
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.45
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)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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