CAS RN: 68141-38-8
SGN
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260420 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS68141-38-8
- Purity/Analytical Methods: >99.0%
68141-38-8 / 5-acetamido-2-[[6-[5-acetamido-6-[2-[[6-[5-acetamido-6-[5-acetamido-6-[(3-amino-3-carboxypropanoyl)amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[3-[3-acetamido-5-[6-[[5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
Basic Information
CAS
68141-38-8
Multi CAS
Yes
Molecular Formula
C88H144N8O64
Molecular Weight
2338.100000
Exact Mass
2336.825932
InChI
InChI=1S/C9H16N4O6/c10-4(3-14)8(17)12-2-7(16)13-5(9(18)19)1-6(11)15/h4-5,14H,1-3,10H2,(H2,11,15)(H,12,17)(H,13,16)(H,18,19)/t4-,5-/m0/s1
InChIKey
BPMRXBZYPGYPJN-WHFBIAKZSA-N
Computed Properties
Structural Parameters
Heavy atom count
160
Fraction Csp3
0.89
Rotatable bonds
47
H-bond acceptors
62
H-bond donors
41
Molar refractivity
492.46
TPSA
1142.35
LogP / Solubility
WLOGP
-26.78
MLOGP
-23.31
XLogP3
-27.3
Consensus LogP
-25.8
Log S (ESOL)
5.64
Class (ESOL)
Highly soluble
Log S (Ali)
0.6
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.73
Class (SILICOS-IT)
Highly 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)
-36
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
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