![CAS 851761-42-7 N-[(2-HYDROXY-1-HYDROXYMETHYL)ETHYL]-11-OXO-9ALPHA,15S-DIHYDROXY-PROSTA-5Z, 13E-DIEN-1-AMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB3398319.gif)
CAS RN: 851761-42-7
N-[(2-HYDROXY-1-HYDROXYMETHYL)ETHYL]-11-OXO-9ALPHA,15S-DIHYDROXY-PROSTA-5Z, 13E-DIEN-1-AMIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260128 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS851761-42-7
- Purity/Analytical Methods: >99.0%
851761-42-7 / (Z)-N-(1,3-dihydroxypropan-2-yl)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enamide
Basic Information
CAS
851761-42-7
Multi CAS
Yes
Molecular Formula
C23H39NO6
Molecular Weight
425.600000
Exact Mass
425.277738
InChI
InChI=1S/C23H39NO6/c1-2-3-6-9-18(27)12-13-20-19(21(28)14-22(20)29)10-7-4-5-8-11-23(30)24-17(15-25)16-26/h4,7,12-13,17-21,25-28H,2-3,5-6,8-11,14-16H2,1H3,(H,24,30)/b7-4-,13-12+/t18-,19+,20+,21-/m0/s1
InChIKey
YRUGYYZQISUWGN-AVMYJHFGSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.74
Rotatable bonds
15
H-bond acceptors
6
H-bond donors
5
Molar refractivity
115.61
TPSA
127.09
LogP / Solubility
WLOGP
1.64
MLOGP
1.47
XLogP3
1.1
Consensus LogP
1.4
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
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)
-4.15
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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