[email protected]
CAS 1185318-60-8 1-Chloro-4-(n-propyl-d7)-phthalazine molecular structure lightbox
CAS RN: 1185318-60-8

1-Chloro-4-(n-propyl-d7)-phthalazine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250414 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: LINC889854
GET A QUOTE

1185318-60-8 / 1-chloro-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)phthalazine

1-Chloro-4-(n-propyl-d7)-phthalazine | AKOS015944559 | CS-17849

Standard CAS: 1185318-60-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1185318-60-8
Multi CAS
No
Molecular Formula
C11H11ClN2
Molecular Weight
213.710000
Exact Mass
213.105013
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C1=NN=C(C2=CC=CC=C21)Cl
InChI
InChI=1S/C11H11ClN2/c1-2-5-10-8-6-3-4-7-9(8)11(12)14-13-10/h3-4,6-7H,2,5H2,1H3/i1D3,2D2,5D2
InChIKey
JNGLMHGHPZJICJ-KSWAKBPNSA-N
Synonyms
1-Chloro-4-(n-propyl-d7)-phthalazine AKOS015944559 CS-17849

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
58.54
TPSA
25.78

LogP / Solubility

WLOGP
3.24
MLOGP
2.85
XLogP3
3.2
Consensus LogP
3.1
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us