[email protected]
CAS 1329614-18-7 DoMperidone-d6 molecular structure lightbox
CAS RN: 1329614-18-7

DoMperidone-d6

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251213 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1329614-18-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1329614-18-7 / 6-chloro-3-[1-[1,1,2,2,3,3-hexadeuterio-3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one

Standard CAS: 1329614-18-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1329614-18-7
Multi CAS
No
Molecular Formula
C22H24ClN5O2
Molecular Weight
431.900000
Exact Mass
431.199513
SMILES
[2H]C([2H])(C([2H])([2H])N1CCC(CC1)N2C3=C(C=C(C=C3)Cl)NC2=O)C([2H])([2H])N4C5=CC=CC=C5NC4=O
InChI
InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)/i3D2,10D2,11D2
InChIKey
FGXWKSZFVQUSTL-WIQKFUDUSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
119.46
TPSA
78.82

LogP / Solubility

WLOGP
3.35
MLOGP
2.98
XLogP3
3.9
Consensus LogP
3.41
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us