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CAS 1131737-05-7 (R)-1-(2,6-Dichlorophenyl)ethanamine molecular structure lightbox
CAS RN: 1131737-05-7

(R)-1-(2,6-Dichlorophenyl)ethanamine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260330 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-013361
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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 1131737-05-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1131737-05-7 / (1R)-1-(2,6-dichlorophenyl)ethanamine;hydrochloride

4-(2-hydroxyethyl)cyclohexan-1-one | DTXSID20577027 | RefChem:287244

Standard CAS: 1131737-05-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1131737-05-7
Multi CAS
Yes
Molecular Formula
C8H10Cl3N
Molecular Weight
226.500000
Exact Mass
224.987882
SMILES
C[C@H](C1=C(C=CC=C1Cl)Cl)N.Cl
InChI
InChI=1S/C8H9Cl2N.ClH/c1-5(11)8-6(9)3-2-4-7(8)10;/h2-5H,11H2,1H3;1H/t5-;/m1./s1
InChIKey
QBWKCUFYMDZATP-NUBCRITNSA-N
Synonyms
4-(2-hydroxyethyl)cyclohexan-1-one DTXSID20577027 RefChem:287244 DTXCID10527798 4-(2-Hydroxyethyl)cyclohexanone

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.31
TPSA
26.02

LogP / Solubility

WLOGP
3.43
MLOGP
3.03
XLogP3
3.43
Consensus LogP
3.3
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66

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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