CAS RN: 16662-47-8
METHOXYVERAPAMIL HYDROCHLORIDE
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.20260511 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS16662-47-8
- Purity/Analytical Methods: >99.0%
16662-47-8 / 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
Basic Information
CAS
16662-47-8
Multi CAS
No
Molecular Formula
C28H40N2O5
Molecular Weight
484.600000
Exact Mass
484.293722
SMILES
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C28H40N2O5/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5/h10-11,16-18,20H,9,12-15H2,1-8H3
InChIKey
XQLWNAFCTODIRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
14
H-bond acceptors
7
Molar refractivity
138.21
TPSA
73.18
LogP / Solubility
WLOGP
5.1
MLOGP
4.52
XLogP3
3.8
Consensus LogP
4.47
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
-
4-Ethoxypicolinaldehyde
- CAS RN: 16665-43-3
- Product Code: starshine_CAS16665-43-3
- Purity/Analytical method: >99.0%
-
-
(Z)-2-Pentenoic acid
- CAS RN: 16666-42-5
- Product Code: starshine_CAS16666-42-5
- Purity/Analytical method: >99.0%
-
