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CAS 29936-86-5 (4-Carbamoylphenoxy)acetic Acid molecular structure lightbox
CAS RN: 29936-86-5

(4-Carbamoylphenoxy)acetic Acid

  • Product code: SSC-133316
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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: ≥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 29936-86-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

29936-86-5 / 2-(4-carbamoylphenoxy)acetic acid

Standard CAS: 29936-86-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29936-86-5
Multi CAS
No
Molecular Formula
C9H9NO4
Molecular Weight
195.170000
Exact Mass
195.053158
InChI
InChI=1S/C9H9NO4/c10-9(13)6-1-3-7(4-2-6)14-5-8(11)12/h1-4H,5H2,(H2,10,13)(H,11,12)
InChIKey
FUKPHJNVITWAOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.09
TPSA
89.62

LogP / Solubility

WLOGP
0.25
MLOGP
0.22
XLogP3
0.6
Consensus LogP
0.36
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.73

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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