CAS RN: 28002-70-2
neomycin B sulphate
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.20251123 | 100g / 500g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS28002-70-2
- Purity/Analytical Methods: >99.0%
28002-70-2 / (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;sulfuric acid
Basic Information
CAS
28002-70-2
Multi CAS
Yes
Molecular Formula
C23H48N6O17S
Molecular Weight
712.700000
Exact Mass
712.279665
InChI
InChI=1S/C23H46N6O13.H2O4S/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22;1-5(2,3)4/h5-23,30-36H,1-4,24-29H2;(H2,1,2,3,4)/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;/m1./s1
InChIKey
OIXVKQDWLFHVGR-WQDIDPJDSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
21
H-bond donors
15
Molar refractivity
152.53
TPSA
427.71
LogP / Solubility
WLOGP
-9.55
MLOGP
-8.34
XLogP3
-9.55
Consensus LogP
-9.15
Log S (ESOL)
2.35
Class (ESOL)
Highly soluble
Log S (Ali)
1.49
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.55
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)
-13.85
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
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