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CAS 1310923-26-2 (S)-(4-CHLOROPHENYL)(CYCLOPROPYL)METHANAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1310923-26-2

(S)-(4-CHLOROPHENYL)(CYCLOPROPYL)METHANAMINE HYDROCHLORIDE

  • Product code: SSC-037770
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1310923-26-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 2 In Stock Shanghai Inquiry
0.25g ≥97% 2 In Stock Shenzhen Inquiry
1g ≥97% 2 In Stock Shanghai Inquiry
5g ≥97% 2 In Stock Beijing Inquiry

1310923-26-2 / (S)-(4-chlorophenyl)-cyclopropylmethanamine;hydrochloride

Standard CAS: 1310923-26-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1310923-26-2
Multi CAS
No
Molecular Formula
C10H13Cl2N
Molecular Weight
218.120000
Exact Mass
217.042505
SMILES
C1CC1[C@@H](C2=CC=C(C=C2)Cl)N.Cl
InChI
InChI=1S/C10H12ClN.ClH/c11-9-5-3-8(4-6-9)10(12)7-1-2-7;/h3-7,10H,1-2,12H2;1H/t10-;/m0./s1
InChIKey
IYHHCTOKERFDLT-PPHPATTJSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.35
TPSA
26.02

LogP / Solubility

WLOGP
3.17
MLOGP
2.79
XLogP3
3.17
Consensus LogP
3.04
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-1.8

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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