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CAS 15089-51-7 2-Amino-4,5-dimethylbenzoic Acid molecular structure lightbox
CAS RN: 15089-51-7

2-Amino-4,5-dimethylbenzoic Acid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260111 1g In stock Inquiry
Batchno.20260128 200mg In stock Inquiry
Batchno.20260110 25g In stock Inquiry
Batchno.20260624 5g In stock Inquiry
  • Product code: SSC-060792
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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: 5g
  • Available purity: ＞97%
  • 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 15089-51-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

15089-51-7 / 2-amino-4,5-dimethylbenzoic acid

Standard CAS: 15089-51-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15089-51-7
Multi CAS
No
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
SMILES
CC1=CC(=C(C=C1C)N)C(=O)O
InChI
InChI=1S/C9H11NO2/c1-5-3-7(9(11)12)8(10)4-6(5)2/h3-4H,10H2,1-2H3,(H,11,12)
InChIKey
REBBDMHTSKPGCO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.29
TPSA
63.32

LogP / Solubility

WLOGP
1.58
MLOGP
1.39
XLogP3
2
Consensus LogP
1.66
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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