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CAS 1251033-05-2 2-(3,4-difluorophenyl)Morpholine hydrochloride molecular structure lightbox
CAS RN: 1251033-05-2

2-(3,4-difluorophenyl)Morpholine hydrochloride

  • Product code: SSC-029762
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1251033-05-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

1251033-05-2 / 2-(3,4-difluorophenyl)morpholine;hydrochloride

Standard CAS: 1251033-05-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1251033-05-2
Multi CAS
No
Molecular Formula
C10H12ClF2NO
Molecular Weight
235.660000
Exact Mass
235.057548
SMILES
C1COC(CN1)C2=CC(=C(C=C2)F)F.Cl
InChI
InChI=1S/C10H11F2NO.ClH/c11-8-2-1-7(5-9(8)12)10-6-13-3-4-14-10;/h1-2,5,10,13H,3-4,6H2;1H
InChIKey
YWXJCTHXHJCZPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.17
TPSA
21.26

LogP / Solubility

WLOGP
2.05
MLOGP
1.81
XLogP3
2.05
Consensus LogP
1.97
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-2.7

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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