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CAS 304462-19-9 AVE0991 molecular structure lightbox
CAS RN: 304462-19-9

AVE0991

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250320 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20250707 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20250205 25mg In stock Shanghai Inquiry
Batchno.20251125 2mg In stock Shanghai, Wuhan Inquiry
Batchno.20250427 50mg In stock Shanghai Inquiry
Batchno.20250302 5mg In stock Shanghai, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250630 2mg / 5mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS304462-19-9
  • Purity/Analytical Methods: >99.0%
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304462-19-9 / 1-ethyl-3-[3-[4-[(5-formyl-4-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylurea

Standard CAS: 304462-19-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
304462-19-9
Multi CAS
No
Molecular Formula
C29H32N4O5S2
Molecular Weight
580.700000
Exact Mass
580.181412
InChI
InChI=1S/C29H32N4O5S2/c1-5-30-29(35)32-40(36,37)28-24(16-23(39-28)15-19(2)3)21-13-11-20(12-14-21)17-33-25(18-34)27(38-4)31-26(33)22-9-7-6-8-10-22/h6-14,16,18-19H,5,15,17H2,1-4H3,(H2,30,32,35)
InChIKey
QTOZBSNPDCWHPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
22
Fraction Csp3
0.28
Rotatable bonds
11
H-bond acceptors
8
H-bond donors
2
Molar refractivity
156.4
TPSA
119.39

LogP / Solubility

WLOGP
5.35
MLOGP
4.76
XLogP3
5.6
Consensus LogP
5.24
Log S (ESOL)
-6.49
Class (ESOL)
Insoluble
Log S (Ali)
-8.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.2
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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