CAS RN: 5870-29-1
CYCLOPENTOLATE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
10 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260531 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS5870-29-1
- Purity/Analytical Methods: >99.0%
5870-29-1 / 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate;hydrochloride
Basic Information
CAS
5870-29-1
Multi CAS
No
Molecular Formula
C17H26CLNO3
Molecular Weight
327.800000
Exact Mass
327.160121
InChI
InChI=1S/C17H25NO3.ClH/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17;/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3;1H
InChIKey
RHKZVMUBMXGOLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
89.36
TPSA
49.77
LogP / Solubility
WLOGP
2.6
MLOGP
2.31
XLogP3
2.6
Consensus LogP
2.5
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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