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CAS 1135916-78-7 AMINO-(2,5-DIMETHYL-PHENYL)-ACETIC ACID HCL molecular structure lightbox
CAS RN: 1135916-78-7

AMINO-(2,5-DIMETHYL-PHENYL)-ACETIC ACID HCL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260624 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-013682
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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, 1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 8
  • 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 1135916-78-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Beijing Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
1g -- 4 In Stock Hong Kong Inquiry
1g ≥95% 4 In Stock Shanghai Inquiry
0.25g -- 3 In Stock Shenzhen Inquiry
0.25g ≥95% 3 In Stock Beijing Inquiry
5g -- 2 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Beijing Inquiry

1135916-78-7 / 2-amino-2-(2,5-dimethylphenyl)acetic acid;hydrochloride

2-AMINO-2-(2,5-DIMETHYLPHENYL)ACETIC ACID HYDROCHLORIDE | MFCD06410553 | 2-amino-2-(2,5-dimethylphenyl)acetic acid;hydrochloride

Standard CAS: 1135916-78-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1135916-78-7
Multi CAS
Yes
Molecular Formula
C10H14ClNO2
Molecular Weight
215.670000
Exact Mass
215.071306
SMILES
CC1=CC(=C(C=C1)C)C(C(=O)O)N.Cl
InChI
InChI=1S/C10H13NO2.ClH/c1-6-3-4-7(2)8(5-6)9(11)10(12)13;/h3-5,9H,11H2,1-2H3,(H,12,13);1H
InChIKey
KLPVDKNMMUWTDY-UHFFFAOYSA-N
Synonyms
2-AMINO-2-(2,5-DIMETHYLPHENYL)ACETIC ACID HYDROCHLORIDE MFCD06410553 2-amino-2-(2,5-dimethylphenyl)acetic acid;hydrochloride 2-Amino-2-(2,5-dimethylphenyl)acetic acid HCl Benzeneacetic acid, alpha-amino-2,5-dimethyl-, hydrochloride (1:1)

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.73
TPSA
63.32

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
1.81
Consensus LogP
1.74
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.75

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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