CAS RN: 1835256-48-8
Dersimelagon
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250822 | 10mg | Out of stock | Inquiry | ||
| Batchno.20260124 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260527 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250121 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20260628 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1835256-48-8
- Purity/Analytical Methods: >99.0%
1835256-48-8 / 1-[2-[(3S,4R)-1-[(3R,4R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-(methoxymethyl)pyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
Basic Information
CAS
1835256-48-8
Multi CAS
No
Molecular Formula
C36H45F4N3O5
Molecular Weight
675.800000
Exact Mass
675.329534
SMILES
COC[C@H]1CN(C[C@@H]1C2=C(C=C(C=C2)C(F)(F)F)N3CCC(CC3)C(=O)O)C(=O)[C@@]4(CN(C[C@H]4C5=CC=C(C=C5)OC)C6CCCC6)F
InChI
InChI=1S/C36H45F4N3O5/c1-47-21-25-18-42(19-30(25)29-12-9-26(36(38,39)40)17-32(29)41-15-13-24(14-16-41)33(44)45)34(46)35(37)22-43(27-5-3-4-6-27)20-31(35)23-7-10-28(48-2)11-8-23/h7-12,17,24-25,27,30-31H,3-6,13-16,18-22H2,1-2H3,(H,44,45)/t25-,30+,31+,35+/m1/s1
InChIKey
MUNWOYRHJPWQNE-GMFUQMJFSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
12
Fraction Csp3
0.61
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
1
Molar refractivity
172.11
TPSA
82.55
LogP / Solubility
WLOGP
5.95
MLOGP
5.3
XLogP3
3.1
Consensus LogP
4.78
Log S (ESOL)
-7.37
Class (ESOL)
Insoluble
Log S (Ali)
-9.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.07
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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
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![CAS 1835683-68-5 2-[1,1′-Biphenyl]-2-yl-4-chloro-6-phenyl-1,3,5-triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1835683-68-5.gif)
