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CAS 18595-16-9 Methyl 2-Amino-5-methylbenzoate molecular structure lightbox
CAS RN: 18595-16-9

Methyl 2-Amino-5-methylbenzoate

  • Product code: SSC-086122
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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: 1g, 5g, 10g, 25g, 100g
  • 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 18595-16-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Shanghai Inquiry
5g >97% 2 In Stock Shenzhen Inquiry
10g >97% 1 In Stock Hong Kong Inquiry
25g >97% 1 In Stock Shanghai Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

18595-16-9 / methyl 2-amino-5-methylbenzoate

Standard CAS: 18595-16-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18595-16-9
Multi CAS
No
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
SMILES
CC1=CC(=C(C=C1)N)C(=O)OC
InChI
InChI=1S/C9H11NO2/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5H,10H2,1-2H3
InChIKey
MDHYFUPTSWXVIA-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
3
H-bond donors
1
Molar refractivity
46.93
TPSA
52.32

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
2.2
Consensus LogP
1.59
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
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)
-2.76

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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