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CAS 713-57-5 TEREPHTHALIC ACID MONOETHYL ESTER molecular structure lightbox
CAS RN: 713-57-5

TEREPHTHALIC ACID MONOETHYL ESTER

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260503 1g In stock Inquiry
Batchno.20251109 250mg In stock Inquiry
Batchno.20260701 50mg In stock Inquiry
Batchno.20260126 5g In stock Inquiry
  • Product code: SSC-180941
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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 713-57-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

713-57-5 / 4-ethoxycarbonylbenzoic acid

Standard CAS: 713-57-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
713-57-5
Multi CAS
Yes
Molecular Formula
C10H10O4
Molecular Weight
194.180000
Exact Mass
194.057909
InChI
InChI=1S/C10H10O4/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6H,2H2,1H3,(H,11,12)
InChIKey
ADFVYWCDAKWKPH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.36
TPSA
63.6

LogP / Solubility

WLOGP
1.56
MLOGP
1.37
XLogP3
2.4
Consensus LogP
1.78
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.8

Drug-likeness / Medicinal Chemistry

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

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