CAS RN: 4299-03-0
Nα-Benzoyl-L-argininamide Hydrochloride Monohydrate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250122 | 200mg | In stock | Shanghai | Inquiry |
- Product code: ICTB0102
- Purity/Analytical Methods: >98.0%(T)
4299-03-0 / N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide;hydrochloride
Basic Information
CAS
4299-03-0
Multi CAS
Yes
Molecular Formula
C13H20CLN5O2
Molecular Weight
313.780000
Exact Mass
313.130553
InChI
InChI=1S/C13H19N5O2.ClH/c14-11(19)10(7-4-8-17-13(15)16)18-12(20)9-5-2-1-3-6-9;/h1-3,5-6,10H,4,7-8H2,(H2,14,19)(H,18,20)(H4,15,16,17);1H/t10-;/m0./s1
InChIKey
PYZACNCNNFUUDO-PPHPATTJSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
4
Molar refractivity
84.05
TPSA
136.59
LogP / Solubility
WLOGP
-0.25
MLOGP
-0.21
XLogP3
-0.25
Consensus LogP
-0.24
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
