[email protected]
CAS 106649-95-0 N-Sulphamyl-3-chloropropionamidine hydrochloride molecular structure lightbox
CAS RN: 106649-95-0

N-Sulphamyl-3-chloropropionamidine hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260308 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-008219
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: 100g
  • Available purity: ≥95%
  • 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 106649-95-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

106649-95-0 / 3-chloro-N'-sulfamoylpropanimidamide;hydrochloride

N-(aminosulfonyl)-3-chloropropanimidamide hydrochloride | DTXSID701020212 | Propanimidamide, N-(aminosulfonyl)-3-chloro-, hydrochloride (1:1)

Standard CAS: 106649-95-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106649-95-0
Multi CAS
Yes
Molecular Formula
C3H9Cl2N3O2S
Molecular Weight
222.090000
Exact Mass
220.979253
SMILES
C(CCl)C(=NS(=O)(=O)N)N.Cl
InChI
InChI=1S/C3H8ClN3O2S.ClH/c4-2-1-3(5)7-10(6,8)9;/h1-2H2,(H2,5,7)(H2,6,8,9);1H
InChIKey
IVLQMIVEODCGLH-UHFFFAOYSA-N
Synonyms
N-(aminosulfonyl)-3-chloropropanimidamide hydrochloride DTXSID701020212 Propanimidamide, N-(aminosulfonyl)-3-chloro-, hydrochloride (1:1) RefChem:869127 DTXCID901478063

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.31
TPSA
98.54

LogP / Solubility

WLOGP
-0.4
MLOGP
-0.35
XLogP3
-0.4
Consensus LogP
-0.38
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.36

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us