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CAS 2109-24-2 2-(4-chlorophenyl)-2-methylpropane-1,3-diol molecular structure lightbox
CAS RN: 2109-24-2

2-(4-chlorophenyl)-2-methylpropane-1,3-diol

  • Product code: SSC-100549
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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 2109-24-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

2109-24-2 / 2-(4-chlorophenyl)-2-methylpropane-1,3-diol

Standard CAS: 2109-24-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2109-24-2
Multi CAS
No
Molecular Formula
C10H13ClO2
Molecular Weight
200.660000
Exact Mass
200.060407
SMILES
CC(CO)(CO)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H13ClO2/c1-10(6-12,7-13)8-2-4-9(11)5-3-8/h2-5,12-13H,6-7H2,1H3
InChIKey
KNOSFTXJEJMBKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.98
TPSA
40.46

LogP / Solubility

WLOGP
1.58
MLOGP
1.39
XLogP3
1.8
Consensus LogP
1.59
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.82

Drug-likeness / Medicinal Chemistry

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

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