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CAS 135308-74-6 D,L N,O-Didesmethylvenlafaxine molecular structure lightbox
CAS RN: 135308-74-6

D,L N,O-Didesmethylvenlafaxine

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260314 25mg In stock Shanghai Inquiry
Batchno.20250515 5mg Out of stock 15 business days Inquiry
  • Product code: SSC-043505
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 135308-74-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

135308-74-6 / 4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol

Standard CAS: 135308-74-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
135308-74-6
Multi CAS
No
Molecular Formula
C15H23NO2
Molecular Weight
249.350000
Exact Mass
249.172879
SMILES
CNCC(C1=CC=C(C=C1)O)C2(CCCCC2)O
InChI
InChI=1S/C15H23NO2/c1-16-11-14(12-5-7-13(17)8-6-12)15(18)9-3-2-4-10-15/h5-8,14,16-18H,2-4,9-11H2,1H3
InChIKey
MMSWXJSQCAEDLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
72.81
TPSA
52.49

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
2.7
Consensus LogP
2.4
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly 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)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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