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CAS 205826-86-4 (R)-α-[(2,2-DiMethyl-1-oxopropyl)aMino]-4-hydroxybenzeneacetic Acid molecular structure lightbox
CAS RN: 205826-86-4

(R)-α-[(2,2-DiMethyl-1-oxopropyl)aMino]-4-hydroxybenzeneacetic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260107 25mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-096952
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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: 0.1g
  • 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 205826-86-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

205826-86-4 / (2R)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetic acid

Standard CAS: 205826-86-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
205826-86-4
Multi CAS
No
Molecular Formula
C13H17NO4
Molecular Weight
251.280000
Exact Mass
251.115758
SMILES
CC(C)(C)C(=O)N[C@H](C1=CC=C(C=C1)O)C(=O)O
InChI
InChI=1S/C13H17NO4/c1-13(2,3)12(18)14-10(11(16)17)8-4-6-9(15)7-5-8/h4-7,10,15H,1-3H3,(H,14,18)(H,16,17)/t10-/m1/s1
InChIKey
BSXQHKOBFTYRJX-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
66.08
TPSA
86.63

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
1.9
Consensus LogP
1.69
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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