[email protected]
CAS 1217195-61-3 CP-31398 Dihydrochloride Hydrate molecular structure lightbox
CAS RN: 1217195-61-3

CP-31398 Dihydrochloride Hydrate

Product Availability

Choose a grade to view its available package options.

10 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260606 100mg In stock Inquiry
Batchno.20250703 10mg In stock Inquiry
Batchno.20250716 25mg In stock Inquiry
Batchno.20250501 50mg In stock Inquiry
Batchno.20250415 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250204 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260208 10mg / 25mg / 100mg Out of stock 5-7 business days Inquiry
Batchno.20250611 250mg In stock Shanghai Inquiry
Batchno.20250207 25mg In stock Shanghai Inquiry
Batchno.20250927 50mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS1217195-61-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1217195-61-3 / N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride

Standard CAS: 1217195-61-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1217195-61-3
Multi CAS
No
Molecular Formula
C22H28Cl2N4O
Molecular Weight
435.400000
Exact Mass
434.164017
SMILES
CN(C)CCCNC1=NC(=NC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)OC.Cl.Cl
InChI
InChI=1S/C22H26N4O.2ClH/c1-26(2)16-6-15-23-22-19-7-4-5-8-20(19)24-21(25-22)14-11-17-9-12-18(27-3)13-10-17;;/h4-5,7-14H,6,15-16H2,1-3H3,(H,23,24,25);2*1H/b14-11+;;
InChIKey
WWIFDJIOGCGSBS-IVKCLRODSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.27
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
127.62
TPSA
50.28

LogP / Solubility

WLOGP
5.02
MLOGP
4.44
XLogP3
5.02
Consensus LogP
4.83
Log S (ESOL)
-5.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

Customers Also Viewed

Get In Touch

Contact Us