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CAS 85235-11-6 15-DEOXY-DELTA12,14-PROSTAGLANDIN D2 molecular structure lightbox
CAS RN: 85235-11-6

15-DEOXY-DELTA12,14-PROSTAGLANDIN D2

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260420 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS85235-11-6
  • Purity/Analytical Methods: >99.0%
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85235-11-6 / 7-[(1R,5S)-5-hydroxy-2-oct-2-enylidene-3-oxocyclopentyl]hept-5-enoic acid

Standard CAS: 85235-11-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85235-11-6
Multi CAS
Yes
Molecular Formula
C20H30O4
Molecular Weight
334.400000
Exact Mass
334.214409
InChI
InChI=1S/C20H30O4/c1-2-3-4-5-6-9-12-16-17(19(22)15-18(16)21)13-10-7-8-11-14-20(23)24/h6-7,9-10,12,17,19,22H,2-5,8,11,13-15H2,1H3,(H,23,24)/b9-6+,10-7-,16-12+/t17-,19+/m1/s1
InChIKey
QUGBPWLPAUHDTI-PLGLXCLHSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.6
Rotatable bonds
11
H-bond acceptors
3
H-bond donors
2
Molar refractivity
95.73
TPSA
74.6

LogP / Solubility

WLOGP
4.2
MLOGP
3.71
XLogP3
3.8
Consensus LogP
3.9
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.64
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78

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
3.5

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