[email protected]
CAS 1105679-25-1 2-AMino-2-(3,4-dichlorophenyl)acetic Acid Hydrochloride molecular structure lightbox
CAS RN: 1105679-25-1

2-AMino-2-(3,4-dichlorophenyl)acetic Acid Hydrochloride

  • Product code: SSC-011609
GET A QUOTE
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: 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1105679-25-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1105679-25-1 / 2-amino-2-(3,4-dichlorophenyl)acetic acid;hydrochloride

2-AMINO-2-(3,4-DICHLOROPHENYL)ACETIC ACID HYDROCHLORIDE | MFCD04115776 | 2-amino-2-(3,4-dichlorophenyl)acetic acid;hydrochloride

Standard CAS: 1105679-25-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1105679-25-1
Multi CAS
Yes
Molecular Formula
C8H8Cl3NO2
Molecular Weight
256.500000
Exact Mass
254.962062
SMILES
C1=CC(=C(C=C1C(C(=O)O)N)Cl)Cl.Cl
InChI
InChI=1S/C8H7Cl2NO2.ClH/c9-5-2-1-4(3-6(5)10)7(11)8(12)13;/h1-3,7H,11H2,(H,12,13);1H
InChIKey
VMYHAWIOLGVDRJ-UHFFFAOYSA-N
Synonyms
2-AMINO-2-(3,4-DICHLOROPHENYL)ACETIC ACID HYDROCHLORIDE MFCD04115776 2-amino-2-(3,4-dichlorophenyl)acetic acid;hydrochloride 2-AMINO-2-(3,4-DICHLOROPHENYL)ACETIC ACID HCL SCHEMBL4371318

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.27
TPSA
63.32

LogP / Solubility

WLOGP
2.5
MLOGP
2.21
XLogP3
2.5
Consensus LogP
2.4
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us