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CAS 119397-07-8 Benzeneacetic acid, alpha-amino-3-methyl-, (alphaS)- (9CI) molecular structure lightbox
CAS RN: 119397-07-8

Benzeneacetic acid, alpha-amino-3-methyl-, (alphaS)- (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260114 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-019930
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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 119397-07-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

119397-07-8 / (2S)-2-amino-2-(3-methylphenyl)acetic acid

2-amino-2-(3-methylphenyl)acetic Acid | RefChem:463409 | 865-387-8

Standard CAS: 119397-07-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
119397-07-8
Multi CAS
Yes
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
SMILES
CC1=CC(=CC=C1)[C@@H](C(=O)O)N
InChI
InChI=1S/C9H11NO2/c1-6-3-2-4-7(5-6)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)/t8-/m0/s1
InChIKey
LUSUJXIQPCPYCT-QMMMGPOBSA-N
Synonyms
2-amino-2-(3-methylphenyl)acetic Acid RefChem:463409 865-387-8 amino(3-methylphenyl)acetic acid AMino-(3-Methylphenyl)-acetic acid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.74
TPSA
63.32

LogP / Solubility

WLOGP
1.08
MLOGP
0.95
XLogP3
-1.3
Consensus LogP
0.24
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
Class (SILICOS-IT)
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)
-2.96

Drug-likeness / Medicinal Chemistry

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

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