![CAS 6530-41-2 L-Alanine, N-[(phenylmethoxy)carbonyl]-, 2-oxo-2-phenylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6530-41-2.gif)
CAS RN: 6530-41-2
L-Alanine, N-[(phenylmethoxy)carbonyl]-, 2-oxo-2-phenylethyl ester
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.20250625 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6530-41-2
- Purity/Analytical Methods: >99.0%
6530-41-2 / phenacyl 2-(phenylmethoxycarbonylamino)propanoate
Basic Information
CAS
6530-41-2
Multi CAS
Yes
Molecular Formula
C19H19NO5
Molecular Weight
341.400000
Exact Mass
341.126323
InChI
InChI=1S/C19H19NO5/c1-14(20-19(23)25-12-15-8-4-2-5-9-15)18(22)24-13-17(21)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,23)/t14-/m0/s1
InChIKey
MUNLGCDPQMBTPW-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
90.96
TPSA
81.7
LogP / Solubility
WLOGP
2.73
MLOGP
2.42
XLogP3
3.2
Consensus LogP
2.78
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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- CAS RN: 6531-74-4
- Product Code: starshine_CAS6531-74-4
- Purity/Analytical method: >99.0%
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