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CAS 24477-92-7 METHYL 4-(4-AMINOPHENOXY)BENZOATE molecular structure lightbox
CAS RN: 24477-92-7

METHYL 4-(4-AMINOPHENOXY)BENZOATE

Product Availability

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250210 100mg Out of stock Inquiry
Batchno.20260112 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20260515 1g Out of stock Inquiry
Batchno.20260323 250mg Out of stock Inquiry
  • Product code: SSC-119089
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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: ＞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 24477-92-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

24477-92-7 / methyl 4-(4-aminophenoxy)benzoate

Standard CAS: 24477-92-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24477-92-7
Multi CAS
No
Molecular Formula
C14H13NO3
Molecular Weight
243.260000
Exact Mass
243.089543
SMILES
COC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)N
InChI
InChI=1S/C14H13NO3/c1-17-14(16)10-2-6-12(7-3-10)18-13-8-4-11(15)5-9-13/h2-9H,15H2,1H3
InChIKey
DKBOFXZTTWKXQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.71
TPSA
61.55

LogP / Solubility

WLOGP
2.85
MLOGP
2.51
XLogP3
2.9
Consensus LogP
2.75
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

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

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