CAS RN: 310427-95-3
M-2420
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.20251020 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS310427-95-3
- Purity/Analytical Methods: >99.0%
310427-95-3 / (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-amino-6-[[2-(2,4-dinitrophenyl)acetyl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
Basic Information
CAS
310427-95-3
Multi CAS
No
Molecular Formula
C70H91N15O27
Molecular Weight
1574.600000
Exact Mass
1573.620883
InChI
InChI=1S/C70H91N15O27/c1-34(2)24-46(79-68(104)48(31-53(71)87)82-70(106)60(35(3)4)83-64(100)45(20-22-57(92)93)78-69(105)50(33-86)75-55(89)27-39-28-59(96)112-52-30-41(111-6)17-18-42(39)52)66(102)81-49(32-58(94)95)65(101)74-36(5)62(98)77-44(19-21-56(90)91)63(99)80-47(25-37-12-8-7-9-13-37)67(103)76-43(61(72)97)14-10-11-23-73-54(88)26-38-15-16-40(84(107)108)29-51(38)85(109)110/h7-9,12-13,15-18,28-30,34-36,43-50,60,86H,10-11,14,19-27,31-33H2,1-6H3,(H2,71,87)(H2,72,97)(H,73,88)(H,74,101)(H,75,89)(H,76,103)(H,77,98)(H,78,105)(H,79,104)(H,80,99)(H,81,102)(H,82,106)(H,83,100)(H,90,91)(H,92,93)(H,94,95)/t36-,43-,44-,45-,46-,47-,48-,49-,50-,60-/m0/s1
InChIKey
SCBWNXJMRAYHIS-SKLRZJKESA-N
Computed Properties
Structural Parameters
Heavy atom count
112
Aromatic heavy atom count
22
Fraction Csp3
0.47
Rotatable bonds
48
H-bond acceptors
24
H-bond donors
17
Molar refractivity
388.56
TPSA
664.13
LogP / Solubility
WLOGP
-2.94
MLOGP
-2.42
XLogP3
-1.6
Consensus LogP
-2.32
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-10.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.21
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)
-14.41
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
9.5
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