CAS RN: 1346600-38-1
rac Dehydro-O-desMethyl 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.20260303 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1346600-38-1
- Purity/Analytical Methods: >99.0%
1346600-38-1 / 4-[1-(cyclohexen-1-yl)-2-(dimethylamino)ethyl]phenol
Basic Information
CAS
1346600-38-1
Multi CAS
No
Molecular Formula
C16H23NO
Molecular Weight
245.360000
Exact Mass
245.177964
SMILES
CN(C)CC(C1=CCCCC1)C2=CC=C(C=C2)O
InChI
InChI=1S/C16H23NO/c1-17(2)12-16(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h6,8-11,16,18H,3-5,7,12H2,1-2H3
InChIKey
TZCZNCWNSMBGJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
75.95
TPSA
23.47
LogP / Solubility
WLOGP
3.54
MLOGP
3.12
XLogP3
3.4
Consensus LogP
3.35
Log S (ESOL)
-3.57
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
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 1346601-74-8 1-(3-Methoxyphenyl)-2-[[Methyl(phenylMethyl)aMino]Methyl]-cyclohexanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42621999(1).gif)
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