[email protected]
CAS 184036-34-8 N- (4- chloro- 3- methyl- oxazol- 5- yl)- 2- [2- (6- methylbenzo[1,3]dioxol- 5- yl)acetyl]- thiophene- 3- sulfonamide molecular structure lightbox
CAS RN: 184036-34-8

N- (4- chloro- 3- methyl- oxazol- 5- yl)- 2- [2- (6- methylbenzo[1,3]dioxol- 5- yl)acetyl]- thiophene- 3- sulfonamide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260107 10mg / 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS184036-34-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

184036-34-8 / N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide

Standard CAS: 184036-34-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
184036-34-8
Multi CAS
No
Molecular Formula
C18H15ClN2O6S2
Molecular Weight
454.900000
Exact Mass
454.006006
SMILES
CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Cl)OCO2
InChI
InChI=1S/C18H15ClN2O6S2/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h3-5,7,21H,6,8H2,1-2H3
InChIKey
PHWXUGHIIBDVKD-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
1
Molar refractivity
106.71
TPSA
107.73

LogP / Solubility

WLOGP
3.96
MLOGP
3.52
XLogP3
3.7
Consensus LogP
3.73
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.62
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.68

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us