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CAS 1823887-63-3 methyl 3-amino-6-bromobenzofuran-2-carboxylate molecular structure lightbox
CAS RN: 1823887-63-3

methyl 3-amino-6-bromobenzofuran-2-carboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260610 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-083950
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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
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 1823887-63-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Beijing Inquiry

1823887-63-3 / methyl 3-amino-6-bromo-1-benzofuran-2-carboxylate

Standard CAS: 1823887-63-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1823887-63-3
Multi CAS
No
Molecular Formula
C10H8BrNO3
Molecular Weight
270.080000
Exact Mass
268.968760
SMILES
COC(=O)C1=C(C2=C(O1)C=C(C=C2)Br)N
InChI
InChI=1S/C10H8BrNO3/c1-14-10(13)9-8(12)6-3-2-5(11)4-7(6)15-9/h2-4H,12H2,1H3
InChIKey
YKBVJEXOURVUEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.67
TPSA
65.46

LogP / Solubility

WLOGP
2.56
MLOGP
2.26
XLogP3
3.1
Consensus LogP
2.64
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

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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