[email protected]
CAS 577953-88-9 Montelukast Dicyclohexylamine Salt molecular structure lightbox
CAS RN: 577953-88-9

Montelukast Dicyclohexylamine Salt

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260218 100mg In stock Shanghai Inquiry
Batchno.20260124 1g In stock Shanghai Inquiry
Batchno.20250525 250mg In stock Shanghai Inquiry
Batchno.20260411 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS577953-88-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

577953-88-9 / 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid;N-cyclohexylcyclohexanamine

Standard CAS: 577953-88-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
577953-88-9
Multi CAS
Yes
Molecular Formula
C47H59CLN2O3S
Molecular Weight
767.500000
Exact Mass
766.393493
InChI
InChI=1S/C35H36ClNO3S.C12H23N/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);11-13H,1-10H2/b15-10+;/t32-;/m1./s1
InChIKey
ZLOLVGQQYDQBMP-HKHDRNBDSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
22
Fraction Csp3
0.49
Rotatable bonds
14
H-bond acceptors
5
H-bond donors
3
Molar refractivity
228.13
TPSA
82.45

LogP / Solubility

WLOGP
12.19
MLOGP
10.79
XLogP3
12.19
Consensus LogP
11.72
Log S (ESOL)
-11.66
Class (ESOL)
Insoluble
Log S (Ali)
-14.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.25

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5

Customers Also Viewed

Get In Touch

Contact Us