[email protected]
CAS 1104637-03-7 5-Formyl-2-furanboronic acid MIDA ester molecular structure lightbox
CAS RN: 1104637-03-7

5-Formyl-2-furanboronic acid MIDA ester

  • Product code: SSC-011534
GET A QUOTE
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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1104637-03-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1104637-03-7 / 5-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)furan-2-carbaldehyde

5-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)furan-2-carbaldehyde | DTXSID20746296 | RefChem:300155

Standard CAS: 1104637-03-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1104637-03-7
Multi CAS
No
Molecular Formula
C10H10BNO6
Molecular Weight
251.000000
Exact Mass
251.060117
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CC=C(O2)C=O
InChI
InChI=1S/C10H10BNO6/c1-12-4-9(14)17-11(18-10(15)5-12)8-3-2-7(6-13)16-8/h2-3,6H,4-5H2,1H3
InChIKey
TXJROHJTTRUYBQ-UHFFFAOYSA-N
Synonyms
5-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)furan-2-carbaldehyde DTXSID20746296 RefChem:300155 DTXCID50697040 5-Formyl-2-furanboronic acid MIDA ester

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
7
Molar refractivity
59.16
TPSA
86.05

LogP / Solubility

WLOGP
-1.18
MLOGP
-1.03
XLogP3
-1.18
Consensus LogP
-1.13
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.55
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.09

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501

Customers Also Viewed

Get In Touch

Contact Us