CAS RN: 690662-96-5
3-(PIPERIDIN-1-YLSULFONYL)PHENYLBORONIC ACID
- Product code: SSC-178713
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
690662-96-5 / (3-piperidin-1-ylsulfonylphenyl)boronic acid
Basic Information
CAS
690662-96-5
Multi CAS
Yes
Molecular Formula
BC11H16NO4S
Molecular Weight
269.130000
Exact Mass
269.089309
InChI
InChI=1S/C11H16BNO4S/c14-12(15)10-5-4-6-11(9-10)18(16,17)13-7-2-1-3-8-13/h4-6,9,14-15H,1-3,7-8H2
InChIKey
HQOWPGGTRBFYFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.88
TPSA
77.84
LogP / Solubility
WLOGP
-0.46
MLOGP
-0.4
XLogP3
-0.46
Consensus LogP
-0.44
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-4.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-Propenoic acid, 3-(2-amino-3-fluorophenyl)-, methyl ester, (2E)-
- CAS RN: 690664-20-1
- Product Code: SSC-178714
-
N’-(2,6-dimethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
- CAS RN: 690683-31-9
- Product Code: SSC-178715
-
3-(6-ETHYL-THIENO[2,3-D]PYRIMIDIN-4-YLAMINO)-PROPIONIC ACID
- CAS RN: 690702-08-0
- Product Code: starshine_CAS690702-08-0
- Purity/Analytical method: >99.0%
-
2-(5-Chloro-2-methoxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
- CAS RN: 690967-38-5
- Product Code: SSC-178731
-
-
5-(3-CHLOROPHENYL)-3-(3-NITROPHENYL)-1,2,4-OXADIAZOLE
- CAS RN: 690988-86-4
- Product Code: starshine_CAS690988-86-4
- Purity/Analytical method: >99.0%
![CAS 690702-08-0 3-(6-ETHYL-THIENO[2,3-D]PYRIMIDIN-4-YLAMINO)-PROPIONIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB7694790.gif)
