CAS RN: 174672-06-1
5-Chloro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole
Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250516 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260209 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250314 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250818 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260516 | 5mg / 25mg / 100mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-076628
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: 0.25g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
174672-06-1 / 5-chloro-1-hydroxy-3H-2,1-benzoxaborole
Basic Information
CAS
174672-06-1
Multi CAS
No
Molecular Formula
C7H6BClO2
Molecular Weight
168.390000
Exact Mass
168.014937
SMILES
B1(C2=C(CO1)C=C(C=C2)Cl)O
InChI
InChI=1S/C7H6BClO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
InChIKey
HMAFTPZYFJFEHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.85
TPSA
29.46
LogP / Solubility
WLOGP
0.56
MLOGP
0.49
XLogP3
0.56
Consensus LogP
0.54
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
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)
-3.35
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
Safety & Transport
Pictogram(s)
Environmental Hazard
Irritant
Signal
Warning
GHS Hazard Statements
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P273, P391, and P501
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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