CAS RN: 5361-91-1
Z-L-LYSINE BENZYL ESTER 4-TOLUENESULFONATE SALT
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.20260330 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5361-91-1
- Purity/Analytical Methods: >99.0%
5361-91-1 / benzyl (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoate;4-methylbenzenesulfonic acid
Basic Information
CAS
5361-91-1
Multi CAS
Yes
Molecular Formula
C28H34N2O7S
Molecular Weight
542.600000
Exact Mass
542.208673
InChI
InChI=1S/C21H26N2O4.C7H8O3S/c22-14-8-7-13-19(20(24)26-15-17-9-3-1-4-10-17)23-21(25)27-16-18-11-5-2-6-12-18;1-6-2-4-7(5-3-6)11(8,9)10/h1-6,9-12,19H,7-8,13-16,22H2,(H,23,25);2-5H,1H3,(H,8,9,10)/t19-;/m0./s1
InChIKey
PERBHXHGFSEBTK-FYZYNONXSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.29
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
3
Molar refractivity
143.69
TPSA
145.02
LogP / Solubility
WLOGP
4.4
MLOGP
3.91
XLogP3
4.4
Consensus LogP
4.24
Log S (ESOL)
-5.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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2,2-DICHLORO-CYCLOPROPANECARBOXYLIC ACID
- CAS RN: 5365-14-0
- Product Code: starshine_CAS5365-14-0
- Purity/Analytical method: >99.0%
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