[email protected]
CAS 53764-90-2 9ALPHA, 11ALPHA, 15S-TRIHYDROXY-PROSTA-5Z, 13E-DIEN-1-OIC ACID, ISOPROPYL ESTER molecular structure lightbox
CAS RN: 53764-90-2

9ALPHA, 11ALPHA, 15S-TRIHYDROXY-PROSTA-5Z, 13E-DIEN-1-OIC ACID, ISOPROPYL ESTER

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250618 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS53764-90-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

53764-90-2 / propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate

Standard CAS: 53764-90-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53764-90-2
Multi CAS
Yes
Molecular Formula
C23H40O5
Molecular Weight
396.600000
Exact Mass
396.287574
InChI
InChI=1S/C23H40O5/c1-4-5-8-11-18(24)14-15-20-19(21(25)16-22(20)26)12-9-6-7-10-13-23(27)28-17(2)3/h6,9,14-15,17-22,24-26H,4-5,7-8,10-13,16H2,1-3H3/b9-6-,15-14+/t18-,19+,20+,21-,22+/m0/s1
InChIKey
FPABVZYYTCHNMK-YNRDDPJXSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.78
Rotatable bonds
13
H-bond acceptors
5
H-bond donors
3
Molar refractivity
111.74
TPSA
86.99

LogP / Solubility

WLOGP
3.91
MLOGP
3.46
XLogP3
3.8
Consensus LogP
3.72
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.04
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)
-2.36

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
5

Customers Also Viewed

Get In Touch

Contact Us