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CAS 697235-49-7 2-(3-(4-hydroxyphenyl)propanamido)benzoic acid molecular structure lightbox
CAS RN: 697235-49-7

2-(3-(4-hydroxyphenyl)propanamido)benzoic acid

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251226 100g In stock Inquiry
Batchno.20260331 25g In stock Inquiry
  • Product code: SSC-179465
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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 697235-49-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

697235-49-7 / 2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid

Standard CAS: 697235-49-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
697235-49-7
Multi CAS
No
Molecular Formula
C16H15NO4
Molecular Weight
285.290000
Exact Mass
285.100108
InChI
InChI=1S/C16H15NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-6,8-9,18H,7,10H2,(H,17,19)(H,20,21)
InChIKey
DLFOKZQWYFNKCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
78.46
TPSA
86.63

LogP / Solubility

WLOGP
2.66
MLOGP
2.35
XLogP3
3.4
Consensus LogP
2.8
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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