CAS RN: 53934-75-1
Nα,Nω-Dibenzyloxycarbonyl-L-arginine
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.20250921 | 200mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTD1179
- Purity/Analytical Methods: >98.0%(T)
53934-75-1 / 5-[[amino(phenylmethoxycarbonylamino)methylidene]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid
Basic Information
CAS
53934-75-1
Multi CAS
Yes
Molecular Formula
C22H26N4O6
Molecular Weight
442.500000
Exact Mass
442.185235
InChI
InChI=1S/C22H26N4O6/c23-20(26-22(30)32-15-17-10-5-2-6-11-17)24-13-7-12-18(19(27)28)25-21(29)31-14-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,25,29)(H,27,28)(H3,23,24,26,30)
InChIKey
YWMQITGDXCEQSI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
4
Molar refractivity
116.67
TPSA
152.34
LogP / Solubility
WLOGP
2.39
MLOGP
2.13
XLogP3
2.9
Consensus LogP
2.47
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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