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CAS 1093087-06-9 Methyl 3-aMino-5-fluoro-4-Methylbenzoate molecular structure lightbox
CAS RN: 1093087-06-9

Methyl 3-aMino-5-fluoro-4-Methylbenzoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260531 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-010565
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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 1093087-06-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1093087-06-9 / methyl 3-amino-5-fluoro-4-methylbenzoate

methyl 3-amino-5-fluoro-4-methylbenzoate | MFCD14694719 | methyl 3-amino-5-fluoro-4-methyl-benzoate

Standard CAS: 1093087-06-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1093087-06-9
Multi CAS
No
Molecular Formula
C9H10FNO2
Molecular Weight
183.180000
Exact Mass
183.069557
SMILES
CC1=C(C=C(C=C1F)C(=O)OC)N
InChI
InChI=1S/C9H10FNO2/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4H,11H2,1-2H3
InChIKey
RJOUOVXYOQFISW-UHFFFAOYSA-N
Synonyms
methyl 3-amino-5-fluoro-4-methylbenzoate MFCD14694719 methyl 3-amino-5-fluoro-4-methyl-benzoate SCHEMBL448918 3-Amino-5-fluoro-4-methyl-benzoic acid methyl ester

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.89
TPSA
52.32

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
1.6
Consensus LogP
1.47
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.77

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 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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