[email protected]
CAS 180272-28-0 Solifenacin N-Oxide molecular structure lightbox
CAS RN: 180272-28-0

Solifenacin N-Oxide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260611 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS180272-28-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

180272-28-0 / [(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Standard CAS: 180272-28-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
180272-28-0
Multi CAS
No
Molecular Formula
C23H26N2O3
Molecular Weight
378.500000
Exact Mass
378.194343
SMILES
C1C[N+]2(CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4[C@@H]3C5=CC=CC=C5)[O-]
InChI
InChI=1S/C23H26N2O3/c26-23(28-21-16-25(27)14-11-18(21)12-15-25)24-13-10-17-6-4-5-9-20(17)22(24)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t18?,21-,22-,25?/m0/s1
InChIKey
PNHAPLMCCXMFAI-QYYKVDRLSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
106.36
TPSA
52.6

LogP / Solubility

WLOGP
3.88
MLOGP
3.43
XLogP3
3.4
Consensus LogP
3.57
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
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
Yes
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

Customers Also Viewed

Get In Touch

Contact Us