[email protected]
CAS 13461-01-3 aceprometazine molecular structure lightbox
CAS RN: 13461-01-3

aceprometazine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260328 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS13461-01-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

13461-01-3 / 1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone

Standard CAS: 13461-01-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13461-01-3
Multi CAS
No
Molecular Formula
C19H22N2OS
Molecular Weight
326.500000
Exact Mass
326.145285
SMILES
CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(=O)C)N(C)C
InChI
InChI=1S/C19H22N2OS/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21/h5-11,13H,12H2,1-4H3
InChIKey
XLOQNFNTQIRSOX-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
97.17
TPSA
23.55

LogP / Solubility

WLOGP
4.44
MLOGP
3.92
XLogP3
4.3
Consensus LogP
4.22
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
Class (SILICOS-IT)
Slightly soluble

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)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Corrosive Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P391, and P501

Customers Also Viewed

Get In Touch

Contact Us