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CAS 110429-36-2 N-Methyl Paroxetine molecular structure lightbox
CAS RN: 110429-36-2

N-Methyl Paroxetine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260114 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-011505
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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: ＞97%
  • 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 110429-36-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

110429-36-2 / (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-methylpiperidine

METHYL PAROXETINE | C20H22FNO3 | 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-methyl-piperidine

Standard CAS: 110429-36-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110429-36-2
Multi CAS
Yes
Molecular Formula
C20H22FNO3
Molecular Weight
343.400000
Exact Mass
343.158372
SMILES
CN1CC[C@H]([C@@H](C1)COC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H22FNO3/c1-22-9-8-18(14-2-4-16(21)5-3-14)15(11-22)12-23-17-6-7-19-20(10-17)25-13-24-19/h2-7,10,15,18H,8-9,11-13H2,1H3/t15-,18-/m0/s1
InChIKey
MOJZPKOBKCXNKG-YJBOKZPZSA-N
Synonyms
METHYL PAROXETINE C20H22FNO3 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-methyl-piperidine orb1694199 SCHEMBL7957720

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
92.81
TPSA
30.93

LogP / Solubility

WLOGP
3.67
MLOGP
3.25
XLogP3
4
Consensus LogP
3.64
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Acute Toxic Environmental Hazard Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H301 (92.7%): Toxic if swallowed [Danger Acute toxicity, oral] H400 (92.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (92.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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