[email protected]
CAS 913835-61-7 4-(N’-HYDROXYCARBAMIMIDOYL)BENZENEBORONIC ACID 95 molecular structure lightbox
CAS RN: 913835-61-7

4-(N’-HYDROXYCARBAMIMIDOYL)BENZENEBORONIC ACID 95

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260106 100mg In stock Shanghai Inquiry
Batchno.20260305 100mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20260117 1g In stock Shanghai Inquiry
Batchno.20260616 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250620 5g In stock Shenzhen Inquiry
  • Product code: starshine_CAS913835-61-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

913835-61-7 / [4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]boronic acid

Standard CAS: 913835-61-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
913835-61-7
Multi CAS
Yes
Molecular Formula
BC7H9N2O3
Molecular Weight
179.970000
Exact Mass
180.070622
InChI
InChI=1S/C7H9BN2O3/c9-7(10-13)5-1-3-6(4-2-5)8(11)12/h1-4,11-13H,(H2,9,10)
InChIKey
LTKQMNXFUOIBQG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
48.78
TPSA
99.07

LogP / Solubility

WLOGP
-1.54
MLOGP
-1.36
XLogP3
-1.54
Consensus LogP
-1.48
Log S (ESOL)
-0.2
Class (ESOL)
Very soluble
Log S (Ali)
0.08
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.21
Class (SILICOS-IT)
Highly 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)
-4.91

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us