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CAS 1432514-50-5 N-(2,4-dimethoxybenzyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydrobenzo[d]oxazole-6-sulfonamide molecular structure lightbox
CAS RN: 1432514-50-5

N-(2,4-dimethoxybenzyl)-2-oxo-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydrobenzo[d]oxazole-6-sulfonamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250719 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1432514-50-5
  • Purity/Analytical Methods: >99.0%
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1432514-50-5 / N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-N-(1,2,4-thiadiazol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide

Standard CAS: 1432514-50-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1432514-50-5
Multi CAS
No
Molecular Formula
C18H16N4O6S2
Molecular Weight
448.500000
Exact Mass
448.051127
SMILES
COC1=CC(=C(C=C1)CN(C2=NC=NS2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4)OC
InChI
InChI=1S/C18H16N4O6S2/c1-26-12-4-3-11(15(7-12)27-2)9-22(17-19-10-20-29-17)30(24,25)13-5-6-14-16(8-13)28-18(23)21-14/h3-8,10H,9H2,1-2H3,(H,21,23)
InChIKey
DJYNRWQYLQGBMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
20
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
1
Molar refractivity
109.66
TPSA
127.62

LogP / Solubility

WLOGP
2.39
MLOGP
2.13
XLogP3
2.4
Consensus LogP
2.31
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-3.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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