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 | Shanghai | Inquiry |
2354338-14-8 / (4-chloro-3-formylphenyl)boronic acid
Basic Information
CAS
2354338-14-8
Multi CAS
No
Molecular Formula
C7H6BClO3
Molecular Weight
184.390000
Exact Mass
184.009852
SMILES
B(C1=CC(=C(C=C1)Cl)C=O)(O)O
InChI
InChI=1S/C7H6BClO3/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-4,11-12H
InChIKey
KRAAFMSZJGQITE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.67
TPSA
57.53
LogP / Solubility
WLOGP
-0.17
MLOGP
-0.15
XLogP3
-0.17
Consensus LogP
-0.16
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.96
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)
-3.96
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
-
-
tert-Butyl (3S,4R)-4-amino-3-methoxypiperidine-1-carboxylate hydrochloride
- CAS RN: 2355288-63-8
- Product Code: starshine_CAS2355288-63-8
- Purity/Analytical method: >99.0%
-
Glycine, N-[4-[[2-(1-pyrrolidinyl)-4-pyrimidinyl]amino]phenyl]-N-[(2,4,6-trimethylphenyl)sulfonyl]-
- CAS RN: 2355377-13-6
- Product Code: starshine_CAS2355377-13-6
- Purity/Analytical method: >99.0%
-
9H-Fluorene, 5-bromo-2-chloro-9,9-diphenyl-
- CAS RN: 2356108-21-7
- Product Code: starshine_CAS2356108-21-7
- Purity/Analytical method: >99.0%
-
Methanesulfonamide, N-[2-[(4S)-4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinolin-11-yl]ethyl]-N-(1-methylethyl)-
- CAS RN: 2356229-14-4
- Product Code: SSC-114596
-
5-Hexynoic acid, 6-[2-(methylthio)-5-pyrimidinyl]-
- CAS RN: 2356229-56-4
- Product Code: SSC-114598
![CAS 2355377-13-6 Glycine, N-[4-[[2-(1-pyrrolidinyl)-4-pyrimidinyl]amino]phenyl]-N-[(2,4,6-trimethylphenyl)sulfonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2355377-13-6.gif)
![CAS 2356229-14-4 Methanesulfonamide, N-[2-[(4S)-4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinolin-11-yl]ethyl]-N-(1-methylethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2356229-14-4.gif)
![CAS 2356229-56-4 5-Hexynoic acid, 6-[2-(methylthio)-5-pyrimidinyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2356229-56-4.gif)