CAS RN: 1329795-88-1
D,L-N,N-Didesmethyl-N-(4-methoxyphenethyl) Venlafaxine
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.20250503 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1329795-88-1
- Purity/Analytical Methods: >99.0%
1329795-88-1 / 1-[1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethyl]cyclohexan-1-ol
Basic Information
CAS
1329795-88-1
Multi CAS
No
Molecular Formula
C24H33NO3
Molecular Weight
383.500000
Exact Mass
383.246044
SMILES
COC1=CC=C(C=C1)CCNCC(C2=CC=C(C=C2)OC)C3(CCCCC3)O
InChI
InChI=1S/C24H33NO3/c1-27-21-10-6-19(7-11-21)14-17-25-18-23(24(26)15-4-3-5-16-24)20-8-12-22(28-2)13-9-20/h6-13,23,25-26H,3-5,14-18H2,1-2H3
InChIKey
LZUSDEPYNTZFJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
113.34
TPSA
50.72
LogP / Solubility
WLOGP
4.31
MLOGP
3.82
XLogP3
4.9
Consensus LogP
4.34
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.81
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
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
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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