![CAS 1133931-73-3 L-Norleucine, 6-chloro-N-[(1,1-dimethylethoxy)carbonyl]-5-[(phenylmethoxy)imino]-, phenylmethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1133931-73-3.gif)
CAS RN: 1133931-73-3
L-Norleucine, 6-chloro-N-[(1,1-dimethylethoxy)carbonyl]-5-[(phenylmethoxy)imino]-, phenylmethyl ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251004 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1133931-73-3
- Purity/Analytical Methods: >99.0%
1133931-73-3 / benzyl (2S,5E)-6-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxyiminohexanoate
Benzyl (S)-5-((benzyloxy)imino)-2-((tert-butoxycarbonyl)amino)-6-chlorohexanoate | L-Norleucine, 6-chloro-N-[(1,1-dimethylethoxy)carbonyl]-5-[(phenylmethoxy)imino]-, phenylmethyl ester | SCHEMBL3108053
Basic Information
CAS
1133931-73-3
Multi CAS
Yes
Molecular Formula
C25H31ClN2O5
Molecular Weight
475.000000
Exact Mass
474.192150
SMILES
CC(C)(C)OC(=O)N[C@@H](CC/C(=N\OCC1=CC=CC=C1)/CCl)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C25H31ClN2O5/c1-25(2,3)33-24(30)27-22(23(29)31-17-19-10-6-4-7-11-19)15-14-21(16-26)28-32-18-20-12-8-5-9-13-20/h4-13,22H,14-18H2,1-3H3,(H,27,30)/b28-21-/t22-/m0/s1
InChIKey
PNNFUEJDTYIUJA-KDXVKTFFSA-N
Synonyms
Benzyl (S)-5-((benzyloxy)imino)-2-((tert-butoxycarbonyl)amino)-6-chlorohexanoate
L-Norleucine, 6-chloro-N-[(1,1-dimethylethoxy)carbonyl]-5-[(phenylmethoxy)imino]-, phenylmethyl ester
SCHEMBL3108053
Benzyl (S,Z)-5-((benzyloxy)imino)-2-((tert-butoxycarbonyl)amino)-6-chlorohexanoate
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
1
Molar refractivity
128.02
TPSA
86.22
LogP / Solubility
WLOGP
5.21
MLOGP
4.62
XLogP3
5.1
Consensus LogP
4.98
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.4
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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