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CAS 1212376-05-0 (1R)-2-chloro-1-(3,4-difluorophenyl)-1-ethanol molecular structure lightbox
CAS RN: 1212376-05-0

(1R)-2-chloro-1-(3,4-difluorophenyl)-1-ethanol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260607 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-023038
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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 1212376-05-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1212376-05-0 / (1R)-2-chloro-1-(3,4-difluorophenyl)ethanol

RefChem:318259 | alpha-(Chloromethyl)-3,4-difluorobenzenemethanol | 2-Chloro-1-(3,4-difluorophenyl)ethanol

Standard CAS: 1212376-05-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212376-05-0
Multi CAS
Yes
Molecular Formula
C8H7ClF2O
Molecular Weight
192.590000
Exact Mass
192.015349
SMILES
C1=CC(=C(C=C1[C@H](CCl)O)F)F
InChI
InChI=1S/C8H7ClF2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,12H,4H2/t8-/m0/s1
InChIKey
RYOLLNVCYSUXCP-QMMMGPOBSA-N
Synonyms
RefChem:318259 alpha-(Chloromethyl)-3,4-difluorobenzenemethanol 2-Chloro-1-(3,4-difluorophenyl)ethanol 2-Chloro-1-(3,4-difluoro-phenyl)-ethanol 2-Chloro-1-(3,4-difluorophenyl)ethan-1-ol

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.04
TPSA
20.23

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
1.9
Consensus LogP
2.04
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-2.31

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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