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CAS 60325-46-4 Sulprostone molecular structure lightbox
CAS RN: 60325-46-4

Sulprostone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251210 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS60325-46-4
  • Purity/Analytical Methods: >99.0%
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60325-46-4 / 7-[(1R,2R,3R)-3-hydroxy-2-[(3R)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopentyl]-N-methylsulfonylhept-5-enamide

Standard CAS: 60325-46-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60325-46-4
Multi CAS
Yes
Molecular Formula
C23H31NO7S
Molecular Weight
465.600000
Exact Mass
465.182124
InChI
InChI=1S/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2-,14-13+/t17-,19-,20-,22-/m1/s1
InChIKey
UQZVCDCIMBLVNR-TWYODKAFSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.48
Rotatable bonds
12
H-bond acceptors
7
H-bond donors
3
Molar refractivity
120.29
TPSA
130

LogP / Solubility

WLOGP
1.74
MLOGP
1.56
XLogP3
1.5
Consensus LogP
1.6
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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