CAS RN: 927821-99-6
1,3-Di-HABA KanaMycin A
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.20251220 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS927821-99-6
- Purity/Analytical Methods: >99.0%
927821-99-6 / (2S)-4-amino-N-[(1R,2S,5S)-2-[(2S,4S,5S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[[(2S)-4-amino-2-hydroxybutanoyl]amino]-4-[(2R,5S)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
Basic Information
CAS
927821-99-6
Multi CAS
Yes
Molecular Formula
C26H50N6O15
Molecular Weight
686.700000
Exact Mass
686.333415
InChI
InChI=1S/C26H50N6O15/c27-3-1-10(34)23(42)31-8-5-9(32-24(43)11(35)2-4-28)22(47-26-19(40)18(39)16(37)12(6-29)44-26)20(41)21(8)46-25-17(38)14(30)15(36)13(7-33)45-25/h8-22,25-26,33-41H,1-7,27-30H2,(H,31,42)(H,32,43)/t8-,9+,10+,11+,12?,13?,14+,15-,16-,17?,18?,19?,20?,21+,22?,25-,26-/m1/s1
InChIKey
HVNATBKIPCIZAA-DCOVVSKJSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Fraction Csp3
0.92
Rotatable bonds
14
H-bond acceptors
19
H-bond donors
15
Molar refractivity
155.06
TPSA
381.27
LogP / Solubility
WLOGP
-9.56
MLOGP
-8.35
XLogP3
-8.8
Consensus LogP
-8.9
Log S (ESOL)
2.85
Class (ESOL)
Highly soluble
Log S (Ali)
1.71
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.13
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)
-13.69
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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