[email protected]
CAS 7296-20-0 NEOCUPROINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 7296-20-0

NEOCUPROINE HYDROCHLORIDE

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250709 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS7296-20-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

7296-20-0 / 2,9-dimethyl-1,10-phenanthroline;hydrochloride

Standard CAS: 7296-20-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7296-20-0
Multi CAS
Yes
Molecular Formula
C14H13CLN2
Molecular Weight
244.720000
Exact Mass
244.076726
InChI
InChI=1S/C14H12N2.ClH/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h3-8H,1-2H3;1H
InChIKey
QUGBNSJLQDNNPK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
14
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.77
TPSA
25.78

LogP / Solubility

WLOGP
3.82
MLOGP
3.37
XLogP3
3.82
Consensus LogP
3.67
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us