CAS RN: 142147-67-9
Dihydro Montelukast
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250623 | 500μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS142147-67-9
- Purity/Analytical Methods: >99.0%
142147-67-9 / 2-[1-[[(1R)-1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Basic Information
CAS
142147-67-9
Multi CAS
No
Molecular Formula
C35H38ClNO3S
Molecular Weight
588.200000
Exact Mass
587.226093
SMILES
CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)CCC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O
InChI
InChI=1S/C35H38ClNO3S/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/h3-9,11-12,14,16,20-21,32,40H,10,13,15,17-19,22-23H2,1-2H3,(H,38,39)/t32-/m1/s1
InChIKey
QYOIIAUGMZLCEO-JGCGQSQUSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
22
Fraction Csp3
0.37
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
2
Molar refractivity
169.73
TPSA
70.42
LogP / Solubility
WLOGP
8.56
MLOGP
7.58
XLogP3
7.7
Consensus LogP
7.95
Log S (ESOL)
-8.42
Class (ESOL)
Insoluble
Log S (Ali)
-10.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.23
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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