CAS RN: 4758-99-0
DIHYDROATISINE HCl
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.20251112 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS4758-99-0
- Purity/Analytical Methods: >99.0%
4758-99-0 / (1S,2S,6R,7S,10R,11R)-13-(2-hydroxyethyl)-11-methyl-5-methylidene-13-azoniapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-en-6-ol chloride
Basic Information
CAS
4758-99-0
Multi CAS
Yes
Molecular Formula
C22H34CLNO2
Molecular Weight
380.000000
Exact Mass
379.227807
InChI
InChI=1S/C22H34NO2.ClH/c1-15-16-4-8-21(19(15)25)9-5-17-20(2)6-3-7-22(17,18(21)12-16)14-23(13-20)10-11-24;/h14,16-19,24-25H,1,3-13H2,2H3;1H/q+1;/p-1/t16-,17+,18+,19+,20-,21-,22-;/m0./s1
InChIKey
CTQGDDPQMCXQJW-NWDYWHSLSA-M
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
98.67
TPSA
43.47
LogP / Solubility
MLOGP
0.02
Consensus LogP
0.01
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
