[email protected]
CAS 1810710-69-0 PCTR3 molecular structure lightbox
CAS RN: 1810710-69-0

PCTR3

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260404 10μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1810710-69-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1810710-69-0 / (4Z,7Z,10Z,12E,14E,16R,17S,19Z)-16-[(2R)-2-amino-2-carboxyethyl]sulfanyl-17-hydroxydocosa-4,7,10,12,14,19-hexaenoic acid

Standard CAS: 1810710-69-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1810710-69-0
Multi CAS
No
Molecular Formula
C25H37NO5S
Molecular Weight
463.600000
Exact Mass
463.239244
SMILES
CC/C=C\C[C@@H]([C@@H](/C=C/C=C/C=C\C/C=C\C/C=C\CCC(=O)O)SC[C@@H](C(=O)O)N)O
InChI
InChI=1S/C25H37NO5S/c1-2-3-14-17-22(27)23(32-20-21(26)25(30)31)18-15-12-10-8-6-4-5-7-9-11-13-16-19-24(28)29/h3,5-8,10-15,18,21-23,27H,2,4,9,16-17,19-20,26H2,1H3,(H,28,29)(H,30,31)/b7-5-,8-6-,12-10+,13-11-,14-3-,18-15+/t21-,22-,23+/m0/s1
InChIKey
GFHRZNBJDWPKHL-FIIKIIMFSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.44
Rotatable bonds
18
H-bond acceptors
5
H-bond donors
4
Molar refractivity
133.72
TPSA
120.85

LogP / Solubility

WLOGP
4.64
MLOGP
4.12
XLogP3
1.9
Consensus LogP
3.55
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.69
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us