![CAS 60684-59-5 Butanoic acid, 4-oxo-2-[[(phenylmethoxy)carbonyl]amino]-, methyl ester, (2S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/60684-59-5.gif)
CAS RN: 60684-59-5
Butanoic acid, 4-oxo-2-[[(phenylmethoxy)carbonyl]amino]-, methyl ester, (2S)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251209 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS60684-59-5
- Purity/Analytical Methods: >99.0%
60684-59-5 / methyl 4-oxo-2-(phenylmethoxycarbonylamino)butanoate
Basic Information
CAS
60684-59-5
Multi CAS
Yes
Molecular Formula
C13H15NO5
Molecular Weight
265.260000
Exact Mass
265.095023
InChI
InChI=1S/C13H15NO5/c1-18-12(16)11(7-8-15)14-13(17)19-9-10-5-3-2-4-6-10/h2-6,8,11H,7,9H2,1H3,(H,14,17)/t11-/m0/s1
InChIKey
JDNZWLRSLDLSCR-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
66.25
TPSA
81.7
LogP / Solubility
WLOGP
1.04
MLOGP
0.93
XLogP3
0.8
Consensus LogP
0.92
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.6
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
2
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