[email protected]
CAS 176168-78-8 cis-Terbinafine Hydrochloride molecular structure lightbox
CAS RN: 176168-78-8

cis-Terbinafine Hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250714 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS176168-78-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

176168-78-8 / (Z)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine;hydrochloride

Standard CAS: 176168-78-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
176168-78-8
Multi CAS
No
Molecular Formula
C21H26ClN
Molecular Weight
327.900000
Exact Mass
327.175378
SMILES
CC(C)(C)C#C/C=C\CN(C)CC1=CC=CC2=CC=CC=C21.Cl
InChI
InChI=1S/C21H25N.ClH/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19;/h5-7,9-14H,16-17H2,1-4H3;1H/b9-5-;
InChIKey
BWMISRWJRUSYEX-UYTGOYFPSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
103.9
TPSA
3.24

LogP / Solubility

WLOGP
5.3
MLOGP
4.68
XLogP3
5.3
Consensus LogP
5.09
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.67
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
No
Log Kp (skin permeation)
-0.96

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 Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H400 (50%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (50%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, P391, and P501

Customers Also Viewed

Get In Touch

Contact Us