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CAS 349405-06-7 methyl 2-[(4-bromophenyl)sulfonylamino]acetate molecular structure lightbox
CAS RN: 349405-06-7

methyl 2-[(4-bromophenyl)sulfonylamino]acetate

  • Product code: SSC-141633
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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 349405-06-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

349405-06-7 / methyl 2-[(4-bromophenyl)sulfonylamino]acetate

Standard CAS: 349405-06-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
349405-06-7
Multi CAS
No
Molecular Formula
BC9H10O4RnS
Molecular Weight
308.150000
Exact Mass
306.951390
InChI
InChI=1S/C9H10BrNO4S/c1-15-9(12)6-11-16(13,14)8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3
InChIKey
RKMMKFPYCKUIAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.35
TPSA
72.47

LogP / Solubility

WLOGP
0.9
MLOGP
0.81
XLogP3
1.5
Consensus LogP
1.07
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-3.96

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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