CAS RN: 2044711-15-9
FMoc-N-Me-HoArg(pbf)-OH
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.20250603 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2044711-15-9
- Purity/Analytical Methods: >99.0%
2044711-15-9 / (2S)-6-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hexanoic acid
Basic Information
CAS
2044711-15-9
Multi CAS
No
Molecular Formula
C36H44N4O7S
Molecular Weight
676.800000
Exact Mass
676.293071
SMILES
CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCCC[C@@H](C(=O)O)N(C)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C
InChI
InChI=1S/C36H44N4O7S/c1-21-22(2)32(23(3)28-19-36(4,5)47-31(21)28)48(44,45)39-34(37)38-18-12-11-17-30(33(41)42)40(6)35(43)46-20-29-26-15-9-7-13-24(26)25-14-8-10-16-27(25)29/h7-10,13-16,29-30H,11-12,17-20H2,1-6H3,(H,41,42)(H3,37,38,39)/t30-/m0/s1
InChIKey
DMYRTAYAYQTZHC-PMERELPUSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
18
Fraction Csp3
0.42
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
3
Molar refractivity
183.98
TPSA
160.62
LogP / Solubility
WLOGP
5.42
MLOGP
4.83
XLogP3
5.6
Consensus LogP
5.28
Log S (ESOL)
-7
Class (ESOL)
Insoluble
Log S (Ali)
-9.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.88
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)
-3
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
5.5
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