[email protected]
CAS 1253907-83-3 Landiolol Hydrochloride EnantiomerⅠ（Benzenepropanoic acid,4-[(2R)-2-hydroxy-3-[[2-[(4-morpholinylcarbonyl)amino]ethyl]amino]propoxy]- molecular structure lightbox
CAS RN: 1253907-83-3

Landiolol Hydrochloride EnantiomerⅠ（Benzenepropanoic acid,4-[(2R)-2-hydroxy-3-[[2-[(4-morpholinylcarbonyl)amino]ethyl]amino]propoxy]-

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250502 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1253907-83-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1253907-83-3 / [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-[4-[(2R)-2-hydroxy-3-[2-(morpholine-4-carbonylamino)ethylamino]propoxy]phenyl]propanoate;hydrochloride

Standard CAS: 1253907-83-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1253907-83-3
Multi CAS
No
Molecular Formula
C25H40ClN3O8
Molecular Weight
546.100000
Exact Mass
545.250393
SMILES
CC1(OC[C@@H](O1)COC(=O)CCC2=CC=C(C=C2)OC[C@@H](CNCCNC(=O)N3CCOCC3)O)C.Cl
InChI
InChI=1S/C25H39N3O8.ClH/c1-25(2)35-18-22(36-25)17-34-23(30)8-5-19-3-6-21(7-4-19)33-16-20(29)15-26-9-10-27-24(31)28-11-13-32-14-12-28;/h3-4,6-7,20,22,26,29H,5,8-18H2,1-2H3,(H,27,31);1H/t20-,22+;/m1./s1
InChIKey
DLPGJHSONYLBKP-LBPAWUGGSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
13
H-bond acceptors
9
H-bond donors
3
Molar refractivity
138.04
TPSA
127.82

LogP / Solubility

WLOGP
1.11
MLOGP
1.02
XLogP3
1.11
Consensus LogP
1.08
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us