CAS RN: 851755-56-1
Montelukast Impurity H
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.20251221 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS851755-56-1
- Purity/Analytical Methods: >99.0%
851755-56-1 / 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(2-methoxycarbonylphenyl)propyl]sulfanylmethyl]cyclopropyl]acetic acid
Basic Information
CAS
851755-56-1
Multi CAS
Yes
Molecular Formula
C34H32CLNO4S
Molecular Weight
586.100000
Exact Mass
585.174057
InChI
InChI=1S/C34H32ClNO4S/c1-40-33(39)29-8-3-2-6-24(29)12-16-31(41-22-34(17-18-34)21-32(37)38)26-7-4-5-23(19-26)9-14-28-15-11-25-10-13-27(35)20-30(25)36-28/h2-11,13-15,19-20,31H,12,16-18,21-22H2,1H3,(H,37,38)/b14-9+/t31-/m1/s1
InChIKey
FVMXWBDOMBDOJN-JLBZDQGGSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
22
Fraction Csp3
0.26
Rotatable bonds
12
H-bond acceptors
5
H-bond donors
1
Molar refractivity
167.34
TPSA
76.49
LogP / Solubility
WLOGP
8.51
MLOGP
7.53
XLogP3
7.9
Consensus LogP
7.98
Log S (ESOL)
-8.44
Class (ESOL)
Insoluble
Log S (Ali)
-10.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.97
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)
-0.26
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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- CAS RN: 851756-52-0
- Product Code: SSC-193380
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