[email protected]
CAS 871826-47-0 10(S),17(S)-DiHDoHE molecular structure lightbox
CAS RN: 871826-47-0

10(S),17(S)-DiHDoHE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260325 50μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS871826-47-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

871826-47-0 / (4Z,7Z,10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid

Standard CAS: 871826-47-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
871826-47-0
Multi CAS
Yes
Molecular Formula
C22H32O4
Molecular Weight
360.500000
Exact Mass
360.230060
InChI
InChI=1S/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8-,10-3-,11-6-,17-12+,18-13+/t20-,21-/m0/s1
InChIKey
CRDZYJSQHCXHEG-XLBFCUQGSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.41
Rotatable bonds
14
H-bond acceptors
3
H-bond donors
3
Molar refractivity
107.87
TPSA
77.76

LogP / Solubility

WLOGP
4.49
MLOGP
3.97
XLogP3
4
Consensus LogP
4.15
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.41
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
Yes
Log Kp (skin permeation)
-1.73

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
3.5

Customers Also Viewed

Get In Touch

Contact Us