[email protected]
CAS 1695831-18-5 3-chloro-5-iodoisoquinoline molecular structure lightbox
CAS RN: 1695831-18-5

3-chloro-5-iodoisoquinoline

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260116 100mg / 500mg Out of stock 5-7 business days Inquiry
GET A QUOTE

1695831-18-5 / 3-chloro-5-iodoisoquinoline

3-chloro-5-iodo-isoquinoline | 3-Chloro-5-iodoisoquinoline | MFCD30298802

Standard CAS: 1695831-18-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1695831-18-5
Multi CAS
No
Molecular Formula
C10H5LiN
Molecular Weight
289.500000
Exact Mass
288.915520
SMILES
C1=CC2=CN=C(C=C2C(=C1)I)Cl
InChI
InChI=1S/C9H5ClIN/c10-9-4-7-6(5-12-9)2-1-3-8(7)11/h1-5H
InChIKey
JKDPVNLRCXDMSC-UHFFFAOYSA-N
Synonyms
3-chloro-5-iodo-isoquinoline 3-Chloro-5-iodoisoquinoline MFCD30298802 SCHEMBL26087730 SCHEMBL30983134

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
59.47
TPSA
12.89

LogP / Solubility

WLOGP
3.49
MLOGP
3.08
XLogP3
3.7
Consensus LogP
3.42
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly 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)
-2.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us