CAS RN: 461023-63-2
Hydrochloride
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251120 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250315 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260102 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260324 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20250717 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS461023-63-2
- Purity/Analytical Methods: >99.0%
461023-63-2 / 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid;hydrochloride
Basic Information
CAS
461023-63-2
Multi CAS
Yes
Molecular Formula
C33H44CLN3O6
Molecular Weight
614.200000
Exact Mass
613.291864
InChI
InChI=1S/C33H43N3O6.ClH/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40;/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40);1H/t28-,29-;/m1./s1
InChIKey
QNNBMSGFNQRUEH-PQQSRXGVSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
12
Fraction Csp3
0.55
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
3
Molar refractivity
165.54
TPSA
119.41
LogP / Solubility
WLOGP
5
MLOGP
4.45
XLogP3
5
Consensus LogP
4.82
Log S (ESOL)
-6.35
Class (ESOL)
Insoluble
Log S (Ali)
-8.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
7
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![CAS 461054-93-3 (3S,6S,12aS)-1,2,3,4,6,7,12,12a-Octahydro-9-methoxy-6-(2-methylpropyl)-1,4-dioxopyrazino[1′,2′:1,6]pyrido[3,4-b]indole-3-propanoic acid 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/461054-93-3.gif)
