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CAS 141303-27-7 Benzenemethanol, -alpha–(chloromethyl)-2-methyl- (9CI) molecular structure lightbox
CAS RN: 141303-27-7

Benzenemethanol, -alpha–(chloromethyl)-2-methyl- (9CI)

  • Product code: SSC-051670
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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: 0.25g
  • 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 141303-27-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry

141303-27-7 / 2-chloro-1-(2-methylphenyl)ethanol

Standard CAS: 141303-27-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
141303-27-7
Multi CAS
No
Molecular Formula
C9H11ClO
Molecular Weight
170.630000
Exact Mass
170.049843
SMILES
CC1=CC=CC=C1C(CCl)O
InChI
InChI=1S/C9H11ClO/c1-7-4-2-3-5-8(7)9(11)6-10/h2-5,9,11H,6H2,1H3
InChIKey
REKZYTLKSIECQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.86
TPSA
20.23

LogP / Solubility

WLOGP
2.27
MLOGP
1.99
XLogP3
2
Consensus LogP
2.09
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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