[email protected]
CAS 221037-98-5 3-Iodophenylboronic acid molecular structure lightbox
CAS RN: 221037-98-5

3-Iodophenylboronic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260618 5g / 10g / 25g / 100g Out of stock 3-5 business days Inquiry
  • Product code: SSC-106336
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: 25g
  • Available purity: ＞97%
  • 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 221037-98-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

221037-98-5 / (3-iodophenyl)boronic acid

Standard CAS: 221037-98-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221037-98-5
Multi CAS
No
Molecular Formula
C6H6BIO2
Molecular Weight
247.830000
Exact Mass
247.950560
SMILES
B(C1=CC(=CC=C1)I)(O)O
InChI
InChI=1S/C6H6BIO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
InChIKey
REEUXWXIMNEIIN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.98
TPSA
40.46

LogP / Solubility

WLOGP
-0.03
MLOGP
-0.02
XLogP3
-0.03
Consensus LogP
-0.03
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
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)
-4.25

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us