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CAS 93413-69-5 Venlafaxine molecular structure lightbox
CAS RN: 93413-69-5

Venlafaxine

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251115 100mg In stock Shanghai, Guangdong Inquiry
Batchno.20250731 1g In stock Shanghai Inquiry
Batchno.20260614 25mg In stock Shanghai, Chongqing Inquiry
Batchno.20250612 5mg In stock Shanghai, Shandong Inquiry
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Batchno.20251107 1g In stock Inquiry
Batchno.20250501 250mg In stock Inquiry
Batchno.20260318 50mg In stock Inquiry
  • Product code: starshine_CAS93413-69-5
  • Purity/Analytical Methods: >99.0%
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93413-69-5 / 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol

Standard CAS: 93413-69-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
93413-69-5
Multi CAS
Yes
Molecular Formula
C17H27NO2
Molecular Weight
277.400000
Exact Mass
277.204179
InChI
InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
InChIKey
PNVNVHUZROJLTJ-UHFFFAOYSA-N

Physical Properties

Melting Point
Crystals from ethyl acetate; melting point 102-104 °C; specific optical rotation: +27.6 deg (c = 1.07 in 95% ethanol) /Venlafaxine (+)form/ Crystals from ethyl acetate; melting point 102-104 °C; specific optical rotation: -27.1 deg (c = 1.04 in 95% ethanol) /Venlafaxine (-)form/ Crystals from methanol/ether; melting point 240-240.5 °C; specific optical rotation: -4.7 deg (c = 0.945 in ethanol) /Venlafaxine (+)form hydrochloride/ Crystals from methanol/ether; melting point 240-240.5 °C; specific optical rotation: +4.6 deg (c = 1.0 in ethanol) /Venlafaxine (-)form hydrochloride/ 74 - 76 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
82.32
TPSA
32.7

LogP / Solubility

WLOGP
3.04
MLOGP
2.68
XLogP3
2.9
Consensus LogP
2.87
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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