CAS RN: 114528-79-9
(-)-TRANS-(1S,2S)-U-50488 HYDROCHLORIDE POTENT K OPIOID RECEP
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260528 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS114528-79-9
- Purity/Analytical Methods: >99.0%
114528-79-9 / 2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
(+)-U-50488 hydrochloride | (+/-)-U-50488 hydrochloride | U50488 Hydrochloride
Basic Information
CAS
114528-79-9
Multi CAS
Yes
Molecular Formula
C19H27Cl3N2O
Molecular Weight
405.800000
Exact Mass
404.118897
SMILES
CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl
InChI
InChI=1S/C19H26Cl2N2O.ClH/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23;/h8-9,12,17-18H,2-7,10-11,13H2,1H3;1H/t17-,18-;/m0./s1
InChIKey
KGMMGVIYOHGOKQ-APTPAJQOSA-N
Synonyms
(+)-U-50488 hydrochloride
(+/-)-U-50488 hydrochloride
U50488 Hydrochloride
U-50488E
U-50488 hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
107.04
TPSA
23.55
LogP / Solubility
WLOGP
4.82
MLOGP
4.27
XLogP3
4.82
Consensus LogP
4.64
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.78
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
Spiramine A
- CAS RN: 114531-28-1
- Product Code: starshine_CAS114531-28-1
- Purity/Analytical method: >99.0%
-
3-(Chloromethyl)-4,5,6,7-tetrahydro-1H-indazole hydrochloride
- CAS RN: 114538-05-5
- Product Code: SSC-014279
-
Regelidine
- CAS RN: 114542-54-0
- Product Code: starshine_CAS114542-54-0
- Purity/Analytical method: >99.0%
-
2-(4-METHYL-2-PYRIDINYL)-4-PYRIDINE PROPANOL
- CAS RN: 114549-79-0
- Product Code: starshine_CAS114549-79-0
- Purity/Analytical method: >99.0%
-
-
6-BROMO-1-HYDROXYPYRENE
- CAS RN: 114562-65-1
- Product Code: starshine_CAS114562-65-1
- Purity/Analytical method: >99.0%
