[email protected]
CAS 1195621-94-3 1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbaldehyde molecular structure lightbox
CAS RN: 1195621-94-3

1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbaldehyde

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250122 100mg In stock Shanghai Inquiry
Batchno.20250806 250mg In stock Shanghai Inquiry
Batchno.20251202 25mg In stock Shanghai Inquiry
Batchno.20251123 25mg / 100mg Out of stock 15 business days Inquiry
Batchno.20251030 50mg In stock Shanghai Inquiry
  • Product code: SSC-020087
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: 0.1g
  • 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 1195621-94-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

1195621-94-3 / 1-hydroxy-3H-2,1-benzoxaborole-6-carbaldehyde

1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbaldehyde | 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carbaldehyde | MFCD20527852

Standard CAS: 1195621-94-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1195621-94-3
Multi CAS
No
Molecular Formula
C8H7BO3
Molecular Weight
161.950000
Exact Mass
162.048824
SMILES
B1(C2=C(CO1)C=CC(=C2)C=O)O
InChI
InChI=1S/C8H7BO3/c10-4-6-1-2-7-5-12-9(11)8(7)3-6/h1-4,11H,5H2
InChIKey
YLGANGBKLJIMCH-UHFFFAOYSA-N
Synonyms
1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbaldehyde 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carbaldehyde MFCD20527852 1-hydroxy-3H-2,1-benzoxaborole-6-carbaldehyde benzo[b]furan-3-boronic acid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.23
TPSA
46.53

LogP / Solubility

WLOGP
-0.28
MLOGP
-0.25
XLogP3
-0.28
Consensus LogP
-0.27
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
Class (SILICOS-IT)
Very 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)
-3.91

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