CAS RN: 29388-62-3
Z-Arg(Tos)-OH.CHA
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.20250116 | 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINZ900210
29388-62-3 / (2S)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid;cyclohexanamine
Basic Information
CAS
29388-62-3
Multi CAS
Yes
Molecular Formula
C27H39N5O6S
Molecular Weight
561.700000
Exact Mass
561.262105
InChI
InChI=1S/C21H26N4O6S.C6H13N/c1-15-9-11-17(12-10-15)32(29,30)25-20(22)23-13-5-8-18(19(26)27)24-21(28)31-14-16-6-3-2-4-7-16;7-6-4-2-1-3-5-6/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,24,28)(H,26,27)(H3,22,23,25);6H,1-5,7H2/t18-;/m0./s1
InChIKey
IKJKHVXZAVBGSA-FERBBOLQSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
5
Molar refractivity
149.47
TPSA
186.2
LogP / Solubility
WLOGP
3.03
MLOGP
2.71
XLogP3
3.03
Consensus LogP
2.92
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.02
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)
-4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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