CAS RN: 80745-10-4
H-ARG(MTR)-OH
Product Availability
Choose a grade to view its available package options.
8 package records4 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260611 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS80745-10-4
- Purity/Analytical Methods: >99.0%
80745-10-4 / 2-amino-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]pentanoic acid
Basic Information
CAS
80745-10-4
Multi CAS
Yes
Molecular Formula
C16H26N4O5S
Molecular Weight
386.500000
Exact Mass
386.162391
InChI
InChI=1S/C16H26N4O5S/c1-9-8-13(25-4)10(2)11(3)14(9)26(23,24)20-16(18)19-7-5-6-12(17)15(21)22/h8,12H,5-7,17H2,1-4H3,(H,21,22)(H3,18,19,20)/t12-/m0/s1
InChIKey
FUSAEZSSVDNYPO-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
4
Molar refractivity
98.86
TPSA
157.1
LogP / Solubility
WLOGP
0.41
MLOGP
0.38
XLogP3
-1.6
Consensus LogP
-0.27
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly 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)
-4.79
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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