[email protected]
CAS 1219802-93-3 5-Hydroxyindole-4,6,7-d3-3-acetic–d2 Acid 5-Hydroxyindole-4,6,7-d3-3-acetic-2,2-d2 Acid molecular structure lightbox
CAS RN: 1219802-93-3

5-Hydroxyindole-4,6,7-d3-3-acetic–d2 Acid 5-Hydroxyindole-4,6,7-d3-3-acetic-2,2-d2 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.20251216 2.5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1219802-93-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1219802-93-3 / 2,2-dideuterio-2-[4,6,7-trideuterio-5-[2,2-dideuterio-2-(4,6,7-trideuterio-5-hydroxy-1H-indol-3-yl)acetyl]oxy-1H-indol-3-yl]acetic acid

Standard CAS: 1219802-93-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1219802-93-3
Multi CAS
No
Molecular Formula
C20H16N2O5
Molecular Weight
374.400000
Exact Mass
374.168689
SMILES
[2H]C1=C(C(=C(C2=C1NC=C2C([2H])([2H])C(=O)OC3=C(C4=C(C(=C3[2H])[2H])NC=C4C([2H])([2H])C(=O)O)[2H])[2H])O)[2H]
InChI
InChI=1S/C20H16N2O5/c23-13-1-3-17-15(7-13)12(10-22-17)6-20(26)27-14-2-4-18-16(8-14)11(9-21-18)5-19(24)25/h1-4,7-10,21-23H,5-6H2,(H,24,25)/i1D,2D,3D,4D,5D2,6D2,7D,8D
InChIKey
ZMAVMLVMRHBJPE-BZUKVWQFSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
4
Molar refractivity
98.94
TPSA
115.41

LogP / Solubility

WLOGP
3.13
MLOGP
2.77
XLogP3
2.6
Consensus LogP
2.83
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us