[email protected]
CAS 1159823-51-4 2,3-Dihydro-1H-isoindole-5-carbonitrile hydrochloride molecular structure lightbox
CAS RN: 1159823-51-4

2,3-Dihydro-1H-isoindole-5-carbonitrile hydrochloride

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260302 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20250901 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20260324 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250423 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250304 5g In stock Shenzhen Inquiry
  • Product code: SSC-015905
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1159823-51-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1159823-51-4 / 2,3-dihydro-1H-isoindole-5-carbonitrile;hydrochloride

2,3-dihydro-1h-isoindole-5-carbonitrile hydrochloride | 1H-Isoindole-5-carbonitrile, 2,3-dihydro-, hydrochloride (1:1) | RefChem:442272

Standard CAS: 1159823-51-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1159823-51-4
Multi CAS
No
Molecular Formula
C9H9ClN2
Molecular Weight
180.630000
Exact Mass
180.045426
SMILES
C1C2=C(CN1)C=C(C=C2)C#N.Cl
InChI
InChI=1S/C9H8N2.ClH/c10-4-7-1-2-8-5-11-6-9(8)3-7;/h1-3,11H,5-6H2;1H
InChIKey
DIGADCVKPVECTM-UHFFFAOYSA-N
Synonyms
2,3-dihydro-1h-isoindole-5-carbonitrile hydrochloride 1H-Isoindole-5-carbonitrile, 2,3-dihydro-, hydrochloride (1:1) RefChem:442272 856-855-2 Isoindoline-5-carbonitrile hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.95
TPSA
35.82

LogP / Solubility

WLOGP
1.58
MLOGP
1.39
XLogP3
1.58
Consensus LogP
1.52
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us