CAS RN: 99534-03-9
H-THR-THR-TYR-ALA-ASP-PHE-ILE-ALA-SER-GLY-ARG-THR-GLY-ARG-ARG-ASN-ALA-ILE-HIS-ASP-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.20250128 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS99534-03-9
- Purity/Analytical Methods: >99.0%
99534-03-9 / (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]butanedioic acid
Basic Information
CAS
99534-03-9
Multi CAS
Yes
Molecular Formula
C94H148N32O31
Molecular Weight
2222.400000
Exact Mass
2222.102181
InChI
InChI=1S/C13H10N4O3S/c1-7-10-11(21-16-7)15-13(20)17(12(10)19)14-6-8-2-4-9(18)5-3-8/h2-6,18H,1H3,(H,15,20)/b14-6+
InChIKey
ALZDMJPUQGYCAX-MKMNVTDBSA-N
Computed Properties
Structural Parameters
Heavy atom count
157
Aromatic heavy atom count
17
Fraction Csp3
0.56
Rotatable bonds
71
H-bond acceptors
33
H-bond donors
39
Molar refractivity
552.53
TPSA
1049.44
LogP / Solubility
WLOGP
-14.07
MLOGP
-12.14
XLogP3
-12
Consensus LogP
-12.74
Log S (ESOL)
-0.15
Class (ESOL)
Very soluble
Log S (Ali)
-7.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.95
Class (SILICOS-IT)
Insoluble
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)
-26.27
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
10
