CAS RN: 51165-05-0
SUBSTANCE P (7-11)
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.20260502 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS51165-05-0
- Purity/Analytical Methods: >99.0%
51165-05-0 / (2S)-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanamide
Basic Information
CAS
51165-05-0
Multi CAS
Yes
Molecular Formula
C31H44N6O5S
Molecular Weight
612.800000
Exact Mass
612.309390
InChI
InChI=1S/C31H44N6O5S/c1-20(2)16-25(31(42)36-24(28(33)39)14-15-43-3)35-27(38)19-34-30(41)26(18-22-12-8-5-9-13-22)37-29(40)23(32)17-21-10-6-4-7-11-21/h4-13,20,23-26H,14-19,32H2,1-3H3,(H2,33,39)(H,34,41)(H,35,38)(H,36,42)(H,37,40)/t23-,24-,25-,26-/m0/s1
InChIKey
RBKYMAQIAMFDOE-CQJMVLFOSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
18
H-bond acceptors
7
H-bond donors
6
Molar refractivity
168.72
TPSA
185.51
LogP / Solubility
WLOGP
0.65
MLOGP
0.63
XLogP3
2.1
Consensus LogP
1.13
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.35
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)
-5.99
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
