![CAS 112157-39-8 N2-[(Phenylmethoxy)carbonyl]-L-lysine tert-Butyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/112157-39-8.gif)
CAS RN: 112157-39-8
N2-[(Phenylmethoxy)carbonyl]-L-lysine tert-Butyl Ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260121 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS112157-39-8
- Purity/Analytical Methods: >99.0%
112157-39-8 / tert-butyl (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoate
N2-[(Phenylmethoxy)carbonyl]-L-lysine tert-Butyl Ester | (S)-tert-Butyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanoate | N-Cbz-L-lysine tert-butyl ester
Basic Information
CAS
112157-39-8
Multi CAS
Yes
Molecular Formula
C18H28N2O4
Molecular Weight
336.400000
Exact Mass
336.204907
SMILES
CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C18H28N2O4/c1-18(2,3)24-16(21)15(11-7-8-12-19)20-17(22)23-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13,19H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKey
WSJKYVHGUCIGPN-HNNXBMFYSA-N
Synonyms
N2-[(Phenylmethoxy)carbonyl]-L-lysine tert-Butyl Ester
(S)-tert-Butyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanoate
N-Cbz-L-lysine tert-butyl ester
Tert-butyl (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoate
MFCD29076461
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
92.3
TPSA
90.65
LogP / Solubility
WLOGP
2.75
MLOGP
2.44
XLogP3
2.5
Consensus LogP
2.56
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly 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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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