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CAS 354811-10-2 (5-PHENYL-2-UREIDO)THIOPHENE-3-CARBOXAMIDE molecular structure lightbox
CAS RN: 354811-10-2

(5-PHENYL-2-UREIDO)THIOPHENE-3-CARBOXAMIDE

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250801 1mg In stock Shanghai Inquiry
Batchno.20250803 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS354811-10-2
  • Purity/Analytical Methods: >99.0%
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354811-10-2 / 2-(carbamoylamino)-5-phenylthiophene-3-carboxamide

Standard CAS: 354811-10-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
354811-10-2
Multi CAS
Yes
Molecular Formula
C12H11N3O2S
Molecular Weight
261.300000
Exact Mass
261.057198
InChI
InChI=1S/C12H11N3O2S/c13-10(16)8-6-9(7-4-2-1-3-5-7)18-11(8)15-12(14)17/h1-6H,(H2,13,16)(H3,14,15,17)
InChIKey
PSVUSJKZJQMCSP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
71.48
TPSA
98.21

LogP / Solubility

WLOGP
2
MLOGP
1.77
XLogP3
1.6
Consensus LogP
1.79
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly 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)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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