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CAS 1033723-31-7 (5-bromo-2-chloro-4-methoxyphenyl)methanol molecular structure lightbox
CAS RN: 1033723-31-7

(5-bromo-2-chloro-4-methoxyphenyl)methanol

  • Product code: SSC-004868
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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 1033723-31-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1033723-31-7 / (5-bromo-2-chloro-4-methoxyphenyl)methanol

(5-bromo-2-chloro-4-methoxyphenyl)methanol | 5-Bromo-2-chloro-4-methoxybenzyl Alcohol | SCHEMBL3220881

Standard CAS: 1033723-31-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1033723-31-7
Multi CAS
No
Molecular Formula
C8H8BrClO2
Molecular Weight
251.500000
Exact Mass
249.939620
SMILES
COC1=C(C=C(C(=C1)Cl)CO)Br
InChI
InChI=1S/C8H8BrClO2/c1-12-8-3-7(10)5(4-11)2-6(8)9/h2-3,11H,4H2,1H3
InChIKey
PHLVAPKOZBNZNY-UHFFFAOYSA-N
Synonyms
(5-bromo-2-chloro-4-methoxyphenyl)methanol 5-Bromo-2-chloro-4-methoxybenzyl Alcohol SCHEMBL3220881 PHLVAPKOZBNZNY-UHFFFAOYSA-N MFCD24387147

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.63
TPSA
29.46

LogP / Solubility

WLOGP
2.6
MLOGP
2.3
XLogP3
2.3
Consensus LogP
2.4
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-2.41

Drug-likeness / Medicinal Chemistry

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

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