CAS RN: 1095-03-0
Triphenyl Borate
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-010886
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: ≥96%
- 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 |
|---|---|---|---|---|
| 25g | ≥96% | 0 Out of Stock | Shanghai | Inquiry |
1095-03-0 / triphenyl borate
Triphenyl borate | Phenyl borate | BORIC ACID, TRIPHENYL ESTER
Basic Information
CAS
1095-03-0
Multi CAS
No
Molecular Formula
C18H15BO3
Molecular Weight
290.100000
Exact Mass
290.111425
SMILES
B(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C18H15BO3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
InChIKey
MDCWDBMBZLORER-UHFFFAOYSA-N
Synonyms
Triphenyl borate
Phenyl borate
BORIC ACID, TRIPHENYL ESTER
Boric acid (H3BO3), triphenyl ester
NSC 806
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
86.96
TPSA
27.69
LogP / Solubility
WLOGP
4.21
MLOGP
3.71
XLogP3
4.21
Consensus LogP
4.04
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Corrosive
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
H311 (97.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H331 (97.5%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P403+P233, P405, and P501
