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CAS 6310-15-2 1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol molecular structure lightbox
CAS RN: 6310-15-2

1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol

  • Product code: SSC-172652
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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 6310-15-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

6310-15-2 / 1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol

Standard CAS: 6310-15-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6310-15-2
Multi CAS
Yes
Molecular Formula
C10H10CLF3O
Molecular Weight
238.630000
Exact Mass
238.037227
InChI
InChI=1S/C10H10ClF3O/c11-6-9(15)5-7-2-1-3-8(4-7)10(12,13)14/h1-4,9,15H,5-6H2
InChIKey
ZFXGKQTVBSBJSU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.87
TPSA
20.23

LogP / Solubility

WLOGP
2.85
MLOGP
2.51
XLogP3
3
Consensus LogP
2.79
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly 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
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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