[email protected]
CAS 2232-49-7 didemethylchlorpromazine sulfoxide molecular structure lightbox
CAS RN: 2232-49-7

didemethylchlorpromazine sulfoxide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251225 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2232-49-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2232-49-7 / 3-(2-chloro-5-oxophenothiazin-10-yl)propan-1-amine

Standard CAS: 2232-49-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2232-49-7
Multi CAS
No
Molecular Formula
C15H15ClN2OS
Molecular Weight
306.800000
Exact Mass
306.059362
SMILES
C1=CC=C2C(=C1)N(C3=C(S2=O)C=CC(=C3)Cl)CCCN
InChI
InChI=1S/C15H15ClN2OS/c16-11-6-7-15-13(10-11)18(9-3-8-17)12-4-1-2-5-14(12)20(15)19/h1-2,4-7,10H,3,8-9,17H2
InChIKey
YGJLHHBXRHEYRU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.25
TPSA
46.33

LogP / Solubility

WLOGP
3.31
MLOGP
2.92
XLogP3
2.9
Consensus LogP
3.04
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us