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CAS 1203684-74-5 3-(3-Methoxyphenyl)azetidine hcl molecular structure lightbox
CAS RN: 1203684-74-5

3-(3-Methoxyphenyl)azetidine hcl

  • Product code: SSC-021298
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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 1203684-74-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1203684-74-5 / 3-(3-methoxyphenyl)azetidine;hydrochloride

3-(3-Methoxyphenyl)azetidine hydrochloride | 3-(3-METHOXYPHENYL)AZETIDINE HCL | MFCD08460701

Standard CAS: 1203684-74-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1203684-74-5
Multi CAS
No
Molecular Formula
C10H14ClNO
Molecular Weight
199.680000
Exact Mass
199.076392
SMILES
COC1=CC=CC(=C1)C2CNC2.Cl
InChI
InChI=1S/C10H13NO.ClH/c1-12-10-4-2-3-8(5-10)9-6-11-7-9;/h2-5,9,11H,6-7H2,1H3;1H
InChIKey
SCNFBPWWFIGVNS-UHFFFAOYSA-N
Synonyms
3-(3-Methoxyphenyl)azetidine hydrochloride 3-(3-METHOXYPHENYL)AZETIDINE HCL MFCD08460701 3-(3-methoxyphenyl)azetidine;hydrochloride GS0540

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.85
TPSA
21.26

LogP / Solubility

WLOGP
1.8
MLOGP
1.59
XLogP3
1.8
Consensus LogP
1.73
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately 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)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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