[email protected]
CAS 85280-91-7 (Z)-7-[(1R)-5α-Hydroxy-2β-[(E,S)-3-hydroxy-5-phenyl-1-pentenyl]-3-oxocyclopentan-1α-yl]-5-heptenoic acid molecular structure lightbox
CAS RN: 85280-91-7

(Z)-7-[(1R)-5α-Hydroxy-2β-[(E,S)-3-hydroxy-5-phenyl-1-pentenyl]-3-oxocyclopentan-1α-yl]-5-heptenoic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250922 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS85280-91-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

85280-91-7 / (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid

Standard CAS: 85280-91-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85280-91-7
Multi CAS
Yes
Molecular Formula
C23H30O5
Molecular Weight
386.500000
Exact Mass
386.209324
InChI
InChI=1S/C23H30O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-21,24-25H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,21-/m0/s1
InChIKey
OAQGPAZDRCBBLD-YTCWWFNZSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.48
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
3
Molar refractivity
107.76
TPSA
94.83

LogP / Solubility

WLOGP
3.3
MLOGP
2.93
XLogP3
2.6
Consensus LogP
2.94
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.73

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

Customers Also Viewed

Get In Touch

Contact Us