CAS RN: 161552-03-0
CYCLO (ARG-GLY-ASP-D-PHE-LYS)
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250228 | 100mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250916 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260611 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250108 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250821 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250419 | 50mg | In stock | Shanghai, Tianjin | Inquiry |
- Product code: starshine_CAS161552-03-0
- Purity/Analytical Methods: >99.0%
161552-03-0 / 2-[(2S,5R,8S,11S)-8-(4-aminobutyl)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
Basic Information
CAS
161552-03-0
Multi CAS
No
Molecular Formula
C27H41N9O7
Molecular Weight
603.700000
Exact Mass
603.312895
SMILES
C1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)CCCCN)CC2=CC=CC=C2)CC(=O)O
InChI
InChI=1S/C27H41N9O7/c28-11-5-4-9-18-24(41)34-17(10-6-12-31-27(29)30)23(40)32-15-21(37)33-20(14-22(38)39)26(43)36-19(25(42)35-18)13-16-7-2-1-3-8-16/h1-3,7-8,17-20H,4-6,9-15,28H2,(H,32,40)(H,33,37)(H,34,41)(H,35,42)(H,36,43)(H,38,39)(H4,29,30,31)/t17-,18-,19+,20-/m0/s1
InChIKey
NVHPXYIRNJFKTE-HAGHYFMRSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
12
H-bond acceptors
8
H-bond donors
9
Molar refractivity
155.95
TPSA
273.22
LogP / Solubility
WLOGP
-3.04
MLOGP
-2.63
XLogP3
-4.7
Consensus LogP
-3.46
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.56
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
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