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CAS 887304-94-1 (R)-2-HYDROXY-2-METHYL(4-CHLOROBENZENE)ACETIC ACID molecular structure lightbox
CAS RN: 887304-94-1

(R)-2-HYDROXY-2-METHYL(4-CHLOROBENZENE)ACETIC ACID

  • Product code: SSC-200236
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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 887304-94-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

887304-94-1 / 2-(4-chlorophenyl)-2-hydroxypropanoic acid

Standard CAS: 887304-94-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
887304-94-1
Multi CAS
Yes
Molecular Formula
C9H9CLO3
Molecular Weight
200.620000
Exact Mass
200.024022
InChI
InChI=1S/C9H9ClO3/c1-9(13,8(11)12)6-2-4-7(10)5-3-6/h2-5,13H,1H3,(H,11,12)
InChIKey
CUDDZZCNPJYPBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.66
TPSA
57.53

LogP / Solubility

WLOGP
1.63
MLOGP
1.44
XLogP3
1.6
Consensus LogP
1.56
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.78

Drug-likeness / Medicinal Chemistry

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

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