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CAS 1179067-35-6 (4-aMino-2-broMophenyl)Methanol molecular structure lightbox
CAS RN: 1179067-35-6

(4-aMino-2-broMophenyl)Methanol

  • Product code: SSC-017733
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1179067-35-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry

1179067-35-6 / (4-amino-2-bromophenyl)methanol

(4-amino-2-bromophenyl)methanol | 4-Amino-2-bromobenzyl alcohol | SCHEMBL14267850

Standard CAS: 1179067-35-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1179067-35-6
Multi CAS
Yes
Molecular Formula
C7H8BrNO
Molecular Weight
202.050000
Exact Mass
200.978930
SMILES
C1=CC(=C(C=C1N)Br)CO
InChI
InChI=1S/C7H8BrNO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4,9H2
InChIKey
CGMBOCGFJOOYSQ-UHFFFAOYSA-N
Synonyms
(4-amino-2-bromophenyl)methanol 4-Amino-2-bromobenzyl alcohol SCHEMBL14267850 (4-amino-2-bromo-phenyl)methanol MFCD12152196

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.48
TPSA
46.25

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1
Consensus LogP
1.29
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.87

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
1.5

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