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CAS 1097778-99-8 2-(aminomethyl)-5-bromophenol molecular structure lightbox
CAS RN: 1097778-99-8

2-(aminomethyl)-5-bromophenol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260612 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-011093
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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 1097778-99-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1097778-99-8 / 2-(aminomethyl)-5-bromophenol

2-(AMINOMETHYL)-5-BROMOPHENOL | 2-Aminomethyl-5-bromo-phenol | MFCD09999926

Standard CAS: 1097778-99-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1097778-99-8
Multi CAS
No
Molecular Formula
C7H8BrNO
Molecular Weight
202.050000
Exact Mass
200.978930
SMILES
C1=CC(=C(C=C1Br)O)CN
InChI
InChI=1S/C7H8BrNO/c8-6-2-1-5(4-9)7(10)3-6/h1-3,10H,4,9H2
InChIKey
LDTJJRBVBKQOLQ-UHFFFAOYSA-N
Synonyms
2-(AMINOMETHYL)-5-BROMOPHENOL 2-Aminomethyl-5-bromo-phenol MFCD09999926 2-(aminomethyl)-5-bromo-phenol SCHEMBL13881992

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
43.7
TPSA
46.25

LogP / Solubility

WLOGP
1.61
MLOGP
1.42
XLogP3
1.7
Consensus LogP
1.58
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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