![CAS 878384-69-1 (S)-2-Amino-3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propionic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/878384-69-1.gif)
CAS RN: 878384-69-1
(S)-2-Amino-3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propionic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250412 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS878384-69-1
- Purity/Analytical Methods: >99.0%
878384-69-1 / (2S)-2-amino-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoic acid
Basic Information
CAS
878384-69-1
Multi CAS
Yes
Molecular Formula
BC15H22NO4
Molecular Weight
291.150000
Exact Mass
291.164188
InChI
InChI=1S/C15H22BNO4/c1-14(2)15(3,4)21-16(20-14)11-7-5-10(6-8-11)9-12(17)13(18)19/h5-8,12H,9,17H2,1-4H3,(H,18,19)/t12-/m0/s1
InChIKey
IEWINWZBOPBDCU-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
81.47
TPSA
81.78
LogP / Solubility
WLOGP
0.94
MLOGP
0.84
XLogP3
0.94
Consensus LogP
0.91
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
-
(S)-1-(3-BROMOPHENYL)-2,2,2-TRIFLUOROETHANAMINE HYDROCHLORIDE
- CAS RN: 878408-46-9
- Product Code: SSC-198177
-
(2S)-3-(4-{[(2,2-dimethylpropoxy)sulfonyl]oxy}phenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
- CAS RN: 878408-63-0
- Product Code: SSC-198178
-
1-(4-METHYL-PIPERIDINE-1-SULFONYL)-PIPERAZINE
- CAS RN: 878416-77-4
- Product Code: SSC-198180
-
Walrycin B
- CAS RN: 878419-78-4
- Product Code: starshine_CAS878419-78-4
- Purity/Analytical method: >99.0%
-
N-[(5-formyl-2-furyl)methyl]-N-methylmethanesulfonamide(SALTDATA: FREE)
- CAS RN: 878427-52-2
- Product Code: starshine_CAS878427-52-2
- Purity/Analytical method: >99.0%
![CAS 878408-63-0 (2S)-3-(4-{[(2,2-dimethylpropoxy)sulfonyl]oxy}phenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/878408-63-0.gif)
![CAS 878427-52-2 N-[(5-formyl-2-furyl)methyl]-N-methylmethanesulfonamide(SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/878427-52-2.gif)