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CAS 923010-34-8 5-Bromo-2-(Boc-amino)thiophene-3-carboxylic Acid molecular structure lightbox
CAS RN: 923010-34-8

5-Bromo-2-(Boc-amino)thiophene-3-carboxylic Acid

  • Product code: SSC-205868
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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, 5g, 10g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 923010-34-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
5g >95% 4 In Stock Shanghai Inquiry
10g >95% 3 In Stock Beijing Inquiry
1g >95% 2 In Stock Shenzhen Inquiry

923010-34-8 / 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid

Standard CAS: 923010-34-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
923010-34-8
Multi CAS
No
Molecular Formula
BC10H12O4RnS
Molecular Weight
322.180000
Exact Mass
320.967040
InChI
InChI=1S/C10H12BrNO4S/c1-10(2,3)16-9(15)12-7-5(8(13)14)4-6(11)17-7/h4H,1-3H3,(H,12,15)(H,13,14)
InChIKey
LWNYBNYYXKQJIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.84
TPSA
75.63

LogP / Solubility

WLOGP
3.56
MLOGP
3.14
XLogP3
3.6
Consensus LogP
3.43
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

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

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